!NC12H26_Hybrid mechanism 2019-10-17 ! author contact: Simon Lapointe !LLNL-MI-794264 ! ELEMENTS C H N O AR HE END SPECIES NC12H26 C12H25 KET1 N2 H2 H O2 O H2O OH H2O2 HO2 CO CO2 CH4 CH3 CH3O2H CH3O2 CH3OH CH3O CH2OH CH2O HCO HO2CHO HOCH2O O2CHO HOCHO OCHO C2H6 C2H5 C2H5O2H C2H5O2 C2H4 C2H3 C2H3OO C2H2 C2H5O PC2H4OH O2C2H4OH CH3CHO CH2CHO O2CH2CHO HO2CH2CO CH2CO HCCO IC3H7 NC3H7 NC3H7O2H NC3H7O2 IC3H7O2 NC3H7O C3H6OOH1-2 C3H6OOH1-3 C3H6OOH1-3O2 C3KET13 C3H6O1-2 C3H6 C3H5-A C3H5O AC3H5OOH CH3COCH2 CH3COCH2O2 C4H8-1 C4H71-3 C4H6 END REACTIONS NC12H26 + H => C12H25+H2 1.67E+06 2.400 4500 NC12H26 + OH => C12H25+H2O 1.13E+12 0.320 846 NC12H26 + O => C12H25+OH 1.10E+06 2.450 2830 NC12H26 + HO2 => C12H25+H2O2 1656.3206815199064 3.370 13720 NC12H26 + CH3 => C12H25+CH4 7.41E+00 3.460 6010 NC12H26 + O2 => C12H25+HO2 3.60E+14 0.000 52900 NC12H26 + CH3O2 => C12H25+CH3O2H 3.3E+02 3.490 13800 NC12H26 => 3.8062283737C2H4 + 0.723183391003 C3H6 + 0.304498269896 C4H8-1 + 1.0H + 1.0CH3 1.5e+24 -2.070 88346.08 C12H25 => 3.97923875433C2H4 + 0.756055363322 C3H6 + 0.318339100346 C4H8-1 + 0.5H + 0.5CH3 4.6e+20 0.000 63667.77 PLOG/ 1 2.9e+22 0.000 63667.76879586141 / PLOG/ 5 1.4e+22 0.000 63667.76879586141 / PLOG/ 10 3.9e+21 0.000 63667.76879586141 / PLOG/ 25 1.2e+21 0.000 63667.76879586141 / PLOG/ 50 4.9e+20 0.000 63667.76879586141 / PLOG/ 60 4.6e+20 0.000 63667.76879586141 / PLOG/ 80 3.63e+20 0.000 63667.76879586141 / PLOG/ 100 3.1e+20 0.000 63667.76879586141 / C12H25 + 2O2 <=> KET1+OH 2.1e+18 0.000 20185.58 PLOG/ 1 5.3e+20 0.000 20185.58021792051 / PLOG/ 5 1.3e+20 0.000 20185.58021792051 / PLOG/ 10 3.6e+19 0.000 20185.58021792051 / PLOG/ 25 7.7e+18 0.000 20185.58021792051 / PLOG/ 50 2.5e+18 0.000 20185.58021792051 / PLOG/ 60 2.1e+18 0.000 20185.58021792051 / PLOG/ 80 1.5e+18 0.000 20185.58021792051 / PLOG/ 100 1.1e+18 0.000 20185.58021792051 / KET1 => 2.66666666667NC3H7 + 0.166666666667CH3CHO + 1.83333333333CH2CO + OH 9.833e+15 0.000 39000.00 H2+M<=>H+H+M +4.5770000E+019 -1.4000000E+000 +1.0440000E+005 !\AUTHOR: AK !\REF: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: H2 / 2.500 / H2O / 12.000 / CO / 1.900 / CO2 / 3.800 / CH4 / 2.000 / C2H6 / 3.000 / H2+O<=>H+OH +5.0800000E+004 +2.6700000E+000 +6.2920000E+003 !\AUTHOR: AK !\REF:SUTHERLAND ET AL., 21ST SYMPOSIUM, P. 929 (1986) !\COMMENT: H2+OH<=>H+H2O +4.3800000E+013 +0.0000000E+000 +6.9900000E+003 !\AUTHOR: AK !\REF:LAM ET AL. SUBMITTED IJCK !\COMMENT O+O+M<=>O2+M +6.1650000E+015 -5.0000000E-001 +0.0000000E+000 !\AUTHOR: AK !\REF: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: H2 / 2.500 / H2O / 12.000 / CO / 1.900 / CO2 / 3.800 / CH4 / 2.000 / C2H6 / 3.000 / O2+H<=>O+OH +1.0400000E+014 +0.0000000E+000 +1.5286000E+004 !\AUTHOR: AK !\REF: HONG ET AL. PROC. OF THE COMB. INST. 33 (2011) 309–316 !\COMMENT: 2 PARAMETER FIT H+OH+M<=>H2O+M +3.5000000E+022 -2.0000000E+000 +0.0000000E+000 !\AUTHOR: AK !\REF: LI IJCK 36: 566–575, 2004 !\COMMENT:OPTIMISED TO FIT H2 AND CH4 FLAMES DATA H2 / 0.730 / H2O / 3.650 / CH4 / 2.000 / C2H6 / 3.000 / O+H2O<=>OH+OH +6.7000000E+007 +1.7040000E+000 +1.4986800E+004 !\AUTHOR: AK !\REF: SUTHERLAND ET AL., 23RD SYMPOSIUM, P. 51 (1990) !\COMMENT: O+H+M<=>OH+M +4.7140000E+018 -1.0000000E+000 +0.0000000E+000 !\AUTHOR: AK !\REF: TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: H2 / 2.500 / H2O / 12.000 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / H2O2(+M)<=>OH+OH(+M) +2.0000000E+012 +9.0000000E-001 +4.8749000E+004 !\AUTHOR: AK !\REF: TROE, COMBUST. FLAME, 158:594-601 (2011)!\COMMENT: RATE CONSTANT IS FOR N2, !\COMMENT: EFFICIENCIS OF H2O FROM THE SAME REF, LOW / +2.4900000E+024 -2.3000000E+000 +4.8749000E+004 / !LOW-PRESSURE-LIMIT TROE / +4.3000000E-001 +1.0000000E-030 +1.0000000E+030 / !TROE PARAMETERS H2O / 7.650 / CO2 / 1.600 / N2 / 1.500 / O2 / 1.200 / H2O2 / 7.700 / H2 / 3.700 / CO / 2.800 / H2O2+H<=>H2O+OH +2.4100000E+013 +0.0000000E+000 +3.9700000E+003 !\AUTHOR: AK !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: H2O2+H<=>H2+HO2 +2.1500000E+010 +1.0000000E+000 +6.0000000E+003 !\AUTHOR: AK !\REF: ELLINGSON J. PHYS. CHEM. (2007) 111, (51), 13554-13566 !\COMMENT: H2O2+O<=>OH+HO2 +9.5500000E+006 +2.0000000E+000 +3.9700000E+003 !\AUTHOR: AK !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: H2O2+OH<=>H2O+HO2 +1.7400000E+012 +0.0000000E+000 +3.1800000E+002 !\AUTHOR: AK !\REF: HONG ET AL. J. PHYS. CHEM. A 114 (2010) 5718-5727 !\COMMENT: DUP H2O2+OH<=>H2O+HO2 +7.5900000E+013 +0.0000000E+000 +7.2690000E+003 !\AUTHOR: !\REF: !\COMMENT: DUP HO2+H<=>OH+OH +7.0790000E+013 +0.0000000E+000 +2.9500000E+002 !\AUTHOR: KPS !\REF: NOT A CLUE WHAT REFERENCE IS HERE AS MECHANISM IS A MESS !\COMMENT: WARNING HO2+H<=>H2+O2 +1.1402000E+010 +1.0827000E+000 +5.5378000E+002 !\AUTHOR: AK !\REF:MICHAEL SUTHERLAND 2000 !\COMMENT: HO2+O<=>OH+O2 +3.2500000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: AK !\REF:BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21:411 (1992) OH+HO2<=>H2O+O2 +7.0000000E+012 +0.0000000E+000 -1.0929600E+003 !\AUTHOR: ?? !\REF: hong pci 2013 1015C !\COMMENT: WARNING DUP OH+HO2<=>H2O+O2 +4.5000000E+014 +0.0000000E+000 +1.0929600E+004 !\AUTHOR: !\REF: !\COMMENT: DUP HO2+HO2<=>H2O2+O2 +1.0000000E+014 +0.0000000E+000 +1.1040883E+004 !\AUTHOR: AK !\REF: hong pci 2013, kapel 2002 !\COMMENT: WARNING DUP HO2+HO2<=>H2O2+O2 +1.9000000E+011 +0.0000000E+000 -1.4089248E+003 !\AUTHOR: !\REF: !\COMMENT: DUP H+O2(+M)<=>HO2(+M) +4.6500000E+012 +4.4000000E-001 +0.0000000E+000 !\AUTHOR: AK !\REF:FERNANDES PCCP 2008 !COMMENT: Efficiencis of AR and HE derived from seperated reactions, LOW / +1.7370000E+019 -1.2300000E+000 +0.0000000E+000 / !LOW-PRESSURE-LIMIT TROE / +6.7000000E-001 +1.0000000E-030 +1.0000000E+030 +1.0000000E+030 / !TROE PARAMETERS H2 / 1.300 / CO / 1.900 / CO2 / 3.800 / H2O / 10.000 / CH4 / 2.000 / C2H6 / 3.000 / CO+O(+M)<=>CO2(+M) +1.3620000E+010 +0.0000000E+000 +2.3840000E+003 !\AUTHOR: ?? !\REF: MEULLER 99 * 0.76 LOW / +1.1730000E+024 -2.7900000E+000 +4.1910000E+003 / !LOW-PRESSURE-LIMIT H2 / 2.000 / H2O / 12.000 / CO / 1.750 / CO2 / 3.600 / CO+OH<=>CO2+H +7.0150000E+004 +2.0530000E+000 -3.5570000E+002 !\AUTHOR: ?? !\REF: JOSHI AND WANG IJCK (2006), 38, (1), 57-73. !\COMMENT: DUP CO+OH<=>CO2+H +5.7570000E+012 -6.6400000E-001 +3.3180000E+002 !\AUTHOR: !\REF: !\COMMENT: DUP CO+HO2<=>CO2+OH +1.5700000E+005 +2.1800000E+000 +1.7940000E+004 !\AUTHOR: ?? !\REF: YOU ET AL. J. PHYS. CHEM. A 2007, 111, 4031-4042 !\COMMENT: CO+O2<=>CO2+O +1.1190000E+012 +0.0000000E+000 +4.7700000E+004 !\AUTHOR: ?? !\REF: 86TSA/ HAM * 0.44 !\COMMENT: H+CO2<=>OCHO +7.5000000E+013 +0.0000000E+000 +2.9000000E+004 !\AUTHOR: ?? !\REF: CURRAN ESTIMATE !\COMMENT: WARNING CH3+H(+M)<=>CH4(+M) +1.2700000E+016 -6.3000000E-001 +3.8300000E+002 !\AUTHOR: ?? !\REF: GRI MECHANISM !\COMMENT: WARNING: WHAT IS REFERENCE FOR GRI MECHANISM? LOW / +2.4770000E+033 -4.7600000E+000 +2.4400000E+003 / !LOW-PRESSURE-LIMIT TROE / +7.8300000E-001 +7.4000000E+001 +2.9410000E+003 +6.9640000E+003 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / CH4+H<=>CH3+H2 +6.1400000E+005 +2.5000000E+000 +9.5870000E+003 !\AUTHOR: !\REF: BAULCH, D.L.; ET AL.,J. PHYS. CHEM. REF. DATA (2005) !\COMMENT: CH4+O<=>CH3+OH +1.0200000E+009 +1.5000000E+000 +8.6000000E+003 !\AUTHOR: !\REF: !REF:GRI 3.0 !\COMMENT: WARNING: WHAT IS REFERENCE FOR GRI MECHANISM? CH4+OH<=>CH3+H2O +5.8300000E+004 +2.6000000E+000 +2.1900000E+003 !\AUTHOR: !\REF: CURRAN ESTIMATE, FIT TO NIST DATABASE !\COMMENT: WARNING: WHAT ARE REFERENCES TO RATE CONSTANTS IN NIST? CH4+HO2<=>CH3+H2O2 +1.1300000E+001 +3.7400000E+000 +2.1010000E+004 !\AUTHOR: !\REF: J. AGUILERA-IPARRAGUIRRE ET AL. J PHYS CHEM A (2008) 112(30): 7047-7054. !\COMMENT: 1.695E+001 in AramcoMech1.3 (with Ax1.5) CH4+CH3O2<=>CH3+CH3O2H +9.6000000E-001 +3.7700000E+000 +1.7810000E+004 !\AUTHOR: !\REF: NEW FIT FROM HJC !\COMMENT: WARNING: WHAT IS SOURCE OF THIS RATE CONSTANT?? CH3+HO2<=>CH4+O2 +1.1600000E+005 +2.2300000E+000 -3.0220000E+003 !\AUTHOR: !\REF: JASPER/ KLIPPENSTEIN PROC COMBUST INST 32 (2009) 279–286 !\COMMENT: CH3+O2(+M)<=>CH3O2(+M) +7.8120000E+009 +9.0000000E-001 +0.0000000E+000 !\AUTHOR: ?? !\REF: R.X. FERNANDES ET AL.,J PHYS. CHEM. A, (2006) 110:4442-4449. !\COMMENT: LOW / +6.8500000E+024 -3.0000000E+000 +0.0000000E+000 / !LOW-PRESSURE-LIMIT TROE / +6.0000000E-001 +1.0000000E+003 +7.0000000E+001 +1.7000000E+003 / !TROE PARAMETERS CH3+O2<=>CH3O+O +7.5460000E+012 +0.0000000E+000 +2.8320000E+004 !\AUTHOR: ?? !\REF:N. K. SRINIVASAN ET AL.,J. PHYS. CHEM. A 109, 7902-7914 (2005) !\COMMENT: CH3+O2<=>CH2O+OH +2.6410000E+000 +3.2830000E+000 +8.1050000E+003 !\AUTHOR: ?? !\REF: PERSONAL COMMUNICATION, STEVE KLIPPENSTEIN !\COMMENT: WARNING: HAS THIS BEEN PUBLISHED? CH3+O<=>CH2O+H +5.5400000E+013 +5.0000000E-002 -1.3600000E+002 !\AUTHOR: !\REF:HARDING AND KLIPPENSTEIN 2B04, 30TH SYMP 2004. !\COMMENT: CH3+OH<=>CH2O+H2 +3.5020000E+005 +1.4410000E+000 -3.2440000E+003 !\AUTHOR: ?? !\REF:FROM JASPER/ KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\COMMENT: PLOG / +1.0000000E-002 +3.5020000E+005 +1.4410000E+000 -3.2440000E+003 / PLOG / +1.0000000E-001 +8.8540000E+005 +1.3270000E+000 -2.9750000E+003 / PLOG / +1.0000000E+000 +1.6500000E+007 +9.7300000E-001 -2.0100000E+003 / PLOG / +1.0000000E+001 +5.3740000E+009 +2.8700000E-001 +2.8000000E+002 / PLOG / +1.0000000E+002 +9.4940000E+018 -2.1990000E+000 +9.7690000E+003 / CH3+OH<=>CH2OH+H +1.6210000E+010 +9.6500000E-001 +3.2100000E+003 !\AUTHOR: ?? !\REF:FROM JASPER/ KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\COMMENT: INCREASED BY FACTOR OF 2 PLOG / +1.0000000E-002 +1.6210000E+010 +9.6500000E-001 +3.2140000E+003 / PLOG / +1.0000000E-001 +1.8070000E+010 +9.5000000E-001 +3.2470000E+003 / PLOG / +1.0000000E+000 +4.6860000E+010 +8.3300000E-001 +3.5660000E+003 / PLOG / +1.0000000E+001 +1.5250000E+013 +1.3400000E-001 +5.6410000E+003 / PLOG / +1.0000000E+002 +3.5900000E+014 -1.8600000E-001 +8.6010000E+003 / CH3+OH<=>H+CH3O +1.1860000E+009 +1.0160000E+000 +1.1940000E+004 !\AUTHOR: ?? !\REF:FROM JASPER/ KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\COMMENT: PLOG / +1.0000000E-002 +1.1860000E+009 +1.0160000E+000 +1.1940000E+004 / PLOG / +1.0000000E-001 +1.1880000E+009 +1.0160000E+000 +1.1940000E+004 / PLOG / +1.0000000E+000 +1.2300000E+009 +1.0110000E+000 +1.1950000E+004 / PLOG / +1.0000000E+001 +1.7980000E+009 +9.6500000E-001 +1.2060000E+004 / PLOG / +1.0000000E+002 +5.2420000E+010 +5.5100000E-001 +1.3070000E+004 / CH3+HO2<=>CH3O+OH +1.0000000E+012 +2.6900000E-001 -6.8750000E+002 !\AUTHOR: ?? !\REF: JASPER/ KLIPPENSTEIN PROC COMBUST INST 32 (2009) 279–286 !\COMMENT: CH3O2+O<=>CH3O+O2 +3.6000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\COMMENT: CH3O2+H<=>CH3O+OH +9.6000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\COMMENT: CH3O2+OH<=>CH3OH+O2 +6.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\COMMENT: CH3O2+HO2<=>CH3O2H+O2 +2.4700000E+011 +0.0000000E+000 -1.5700000E+003 !\AUTHOR: !\REF:LIGHTFOOT,P.D. ETAL., ATMOS. ENVIRON. PART A: 26, 1805-1961 (1992) !\COMMENT: CH3O2+H2O2<=>CH3O2H+HO2 +2.4100000E+012 +0.0000000E+000 +9.9360000E+003 !\AUTHOR: !\REF:!REF:Tsang, W., J. Phys. Chem. Ref. Data 15, 1087 (1986) !\COMMENT: ADDED 29/07/2015 CH3O2+CH3<=>CH3O+CH3O +5.0800000E+012 +0.0000000E+000 -1.4110000E+003 !\AUTHOR: !\REF:KEIFFER, M. ET AL.,J. CHEM. SOC. FARADAY TRANS. 2: 84, 505 (1988) !\COMMENT: CH3O2+CH3O2=>CH2O+CH3OH+O2 +3.1100000E+014 -1.6100000E+000 -1.0510000E+003 !\AUTHOR: !\REF:LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\COMMENT: CH3O2+CH3O2=>O2+CH3O+CH3O +1.4000000E+016 -1.6100000E+000 +1.8600000E+003 !\AUTHOR: !\REF:LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\COMMENT: H2+CH3O2<=>H+CH3O2H +1.5000000E+014 +0.0000000E+000 +2.6030000E+004 !\AUTHOR: !\REF:TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 !\COMMENT: CH3O2H<=>CH3O+OH +6.3100000E+014 +0.0000000E+000 +4.2300000E+004 !\AUTHOR: !\REF:LIGHTFOOT ET AL. J. CHEM. SOC. FARA TRANS. 1991, 87(19), 3213--3220. !\COMMENT: CH3OH(+M)<=>CH3+OH(+M) +2.0840000E+018 -6.1500000E-001 +9.2540600E+004 !\AUTHOR: !\REF:FROM JASPER/ KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\COMMENT: NEGLECTING HCOH CHANNELS AS THEY ARE NOT IMPORTANT LOW / +1.5000000E+043 -6.9950000E+000 +9.7992200E+004 / !LOW-PRESSURE-LIMIT TROE / -4.7480000E-001 +3.5580000E+004 +1.1160000E+003 +9.0230000E+003 / !TROE PARAMETERS CH3OH(+M)<=>CH2OH+H(+M) +7.8960000E-003 +5.0380000E+000 +8.4467400E+004 !\AUTHOR: !\REF:FROM JASPER/ KLIPP,J.PHYS.CHEM A 111,19,3932-3950 !\COMMENT: NEGLECTING HCOH CHANNELS AS THEY ARE NOT IMPORTANT LOW / +3.3900000E+042 -7.2440000E+000 +1.0523030E+005 / !LOW-PRESSURE-LIMIT TROE / -7.3910000E+001 +3.7050000E+004 +4.1500000E+004 +5.2200000E+003 / !TROE PARAMETERS CH3OH+H<=>CH3O+H2 +1.9900000E+005 +2.5600000E+000 +1.0300000E+004 !\AUTHOR: !\REF:J. CHEM. PHYS. 134, 094302 (2011) !\COMMENT: WARNING INCOMPLETE REFERENCE CH3OH+H<=>CH2OH+H2 +3.0700000E+005 +2.5500000E+000 +5.4400000E+003 !\AUTHOR: !\REF:J. CHEM. PHYS. 134, 094302 (2011) !\COMMENT: WARNING INCOMPLETE REFERENCE CH3OH+O<=>CH3O+OH +3.8800000E+004 +2.5000000E+000 +3.0800000E+003 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987)!\COMMENT: reduced by an order of magnitude from abstraction from the methyl site CH3OH+O<=>CH2OH+OH +3.8800000E+005 +2.5000000E+000 +3.0800000E+003 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) !\COMMENT: CH3OH+OH<=>CH3O+H2O +1.5000000E+002 +3.0300000E+000 -7.6300000E+002 !\AUTHOR: !\REF:XU ET AL. PROC 31 2007 159-166 !\COMMENT: CH3OH+OH<=>CH2OH+H2O +3.0800000E+004 +2.6500000E+000 -8.0670000E+002 !\AUTHOR: !\REF:XU ET AL. PROC 31 2007 159-166 !\COMMENT: CH3OH+O2<=>CH3O+HO2 +3.5800000E+004 +2.2700000E+000 +4.2764500E+004 !\AUTHOR: !\REF:S. J. Klippenstein, L. B. Harding, M. J. Davis, A. S. Tomlin, R. T. Skodje, PCI, 33 (2011) 351-357 CH3OH+O2<=>CH2OH+HO2 +3.5800000E+005 +2.2700000E+000 +4.2764500E+004 !\AUTHOR: !REF:S. J. Klippenstein, L. B. Harding, M. J. Davis, A. S. Tomlin, R. T. Skodje, PCI, 33 (2011) 351-357 !\COMMENT: Ultan added 21/08/15 CH3OH+HO2<=>CH3O+H2O2 +1.2200000E+012 +0.0000000E+000 +2.0070700E+004 !\AUTHOR: !\REF: M. Altarawneh, A. H. Al-Muhtaseb, B. Z. Dlugogorski, E. M. Kennedy, J. C. Mackie, J. Comp. Chem. 32 (2011) 1725-1733 !\COMMENT: CH3OH+HO2<=>CH2OH+H2O2 +3.2600000E+013 +0.0000000E+000 +1.8782200E+004 !\AUTHOR: !\REF: M. Altarawneh, A. H. Al-Muhtaseb, B. Z. Dlugogorski, E. M. Kennedy, J. C. Mackie, J. Comp. Chem. 32 (2011) 1725-1733 !\COMMENT: CH3OH+CH3<=>CH2OH+CH4 +2.1300000E-001 +3.9530000E+000 +7.0551000E+003 !\AUTHOR: !\REF:I. M. Alecu, D. G. Truhlar, J. Phys. Chem. A, 115 (2011) 14599-14611 !\COMMENT: Ultan added 21/08/15 CH3OH+CH3<=>CH3O+CH4 +3.2200000E+003 +2.4250000E+000 +8.5795000E+003 !\AUTHOR: !\REF:I. M. Alecu, D. G. Truhlar, J. Phys. Chem. A, 115 (2011) 14599-14611 !\COMMENT: Ultan added 21/08/15 CH3OH+HCO<=>CH2OH+CH2O +9.6300000E+003 +2.9000000E+000 +1.3110000E+004 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) !\COMMENT: CH3OH+CH3O<=>CH2OH+CH3OH +3.0000000E+011 +0.0000000E+000 +4.0740000E+003 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) !\COMMENT: CH3OH+CH3O2<=>CH2OH+CH3O2H +1.8100000E+012 +0.0000000E+000 +1.3710000E+004 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) CH2OH+O2<=>CH2O+HO2 +1.5100000E+015 -1.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:GROTHEER, H. H. ET AL., J. PHYS. CHEM. 92: 4028 (1988). !\COMMENT: DUP CH2OH+O2<=>CH2O+HO2 +2.4100000E+014 +0.0000000E+000 +5.0170000E+003 !\AUTHOR: !\REF: !\COMMENT: DUP CH2OH+H<=>CH2O+H2 +6.0000000E+012 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) !\COMMENT: CH2OH+HO2<=>CH2O+H2O2 +1.2000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:NORTON, T.S ET AL., IJCK. (1991). !\COMMENT: CH2OH+HCO<=>CH2O+CH2O +1.8000000E+014 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:T. J. HELD ET AL. IJCK. 30: 805--830 (1998) !\COMMENT: Ultan removed 21/08/15 CH2OH+HCO<=>CH3OH+CO +1.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF: !\COMMENT: WARNING, NO REF CH2OH+CH3O<=>CH2O+CH3OH +2.4000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:NORTON, T.S ET AL., IJCK. (1991). !\COMMENT: CH2OH+OH<=>H2O+CH2O +2.4000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) !\COMMENT: CH2OH+O<=>OH+CH2O +4.2000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) !\COMMENT: CH2OH+CH2OH<=>CH2O+CH3OH +3.0000000E+012 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) CH2OH+HO2<=>HOCH2O+OH +1.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:CURRAN ESTIMATE !\COMMENT: WARNING: WHAT IS SOURCE OF RATE CONSTANT?? CH3O+O2<=>CH2O+HO2 +4.3800000E-019 +9.5000000E+000 -5.5010000E+003 !\AUTHOR: !\REF:WANTUCK, P.J. E AL. J. PHYS. CHEM. 91, 4653 (1987) !\COMMENT: CH3O+H<=>CH2O+H2 +2.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:HOYERMANN ET AL., 18TH SYMPOSIUM !\COMMENT: CH3O+HO2<=>CH2O+H2O2 +3.0100000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: CH3O+CH3<=>CH2O+CH4 +1.2000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF: WARNING: NO REFERENCE !\COMMENT: WARNING: NO REFERENCE CH3O+CH3O<=>CH3OH+CH2O +6.0300000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: HCO+H(+M)<=>CH2O(+M) +1.0900000E+012 +4.8000000E-001 -2.6000000E+002 !\AUTHOR: !\REF:LASKIN ET AL. IJCK 32 589-614 2000 !\COMMENT: LOW / +1.3500000E+024 -2.5700000E+000 +1.4250000E+003 / !LOW-PRESSURE-LIMIT TROE / +7.8240000E-001 +2.7100000E+002 +2.7550000E+003 +6.5700000E+003 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / CO+H2(+M)<=>CH2O(+M) +4.3000000E+007 +1.5000000E+000 +7.9600000E+004 !\AUTHOR: !\REF:LASKIN ET AL. IJCK 32 589-614 2000 !\COMMENT: WARNING: KPS NOT INDIVIDUALLY REFERENCED IN MECHANISM, ASSUMING IT'S FROM LASKIN ET AL. LOW / +5.0700000E+027 -3.4200000E+000 +8.4348000E+004 / !LOW-PRESSURE-LIMIT TROE / +9.3200000E-001 +1.9700000E+002 +1.5400000E+003 +1.0300000E+004 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / CH2O+O2<=>HCO+HO2 +8.0700000E+015 +0.0000000E+000 +5.3420000E+004 !\AUTHOR: !\REF: N. K. SRINIVASAN ET AL.,J. PHYS. CHEM. A 109, 7902-7914 (2005) !\COMMENT: CH2O+O<=>HCO+OH +6.2600000E+009 +1.1500000E+000 +2.2600000E+003 !\AUTHOR: !\REF: CURRAN FIT TO NIST DATABASE !\COMMENT: CH2O+H<=>HCO+H2 +5.7400000E+007 +1.9000000E+000 +2.7400000E+003 !\AUTHOR: !\REF: IRDAM ET AL., IJCK 1993, 25, 285 !\COMMENT: CH2O+OH<=>HCO+H2O +7.8200000E+007 +1.6300000E+000 -1.0550000E+003 !\AUTHOR: !\REF: V. VASUDEVAN ET AL. IJCK. 37: 98--109 (2005). !\COMMENT: CH2O+HO2<=>HCO+H2O2 +1.8800000E+004 +2.7000000E+000 +1.1520000E+004 !\AUTHOR: !\REF: J. PHYS. CHEM. A 109, 12027-12035, 2005 !\COMMENT: CH2O+CH3<=>HCO+CH4 +3.8300000E+001 +3.3600000E+000 +4.3120000E+003 !\AUTHOR: !\REF: BAULCH ET AL. JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 34, 3, 757-1397 2005 !\COMMENT: CH2O+O2CHO<=>HCO+HO2CHO +1.9900000E+012 +0.0000000E+000 +1.1660000E+004 !\AUTHOR: !\REF: ANALOGY WITH CH3O2+CH2O TSANG/ HAMPSON 1986 !\COMMENT: CH2O+OCHO<=>HCO+HOCHO +5.6000000E+012 +0.0000000E+000 +1.3600000E+004 !\AUTHOR: !\REF:CURRAN ESTIMATE !\COMMENT: CH2O+CH3O<=>HCO+CH3OH +6.6200000E+011 +0.0000000E+000 +2.2940000E+003 !\AUTHOR: !\REF:FITTSCHEN, C., J. CHIM. PHYS. 95: 2129 (1998). !\COMMENT: CH2O+CH3O2<=>HCO+CH3O2H +1.9900000E+012 +0.0000000E+000 +1.1660000E+004 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: HCO+M<=>H+CO+M +5.7000000E+011 +6.6000000E-001 +1.4870000E+004 !\AUTHOR: !\REF: LI ET AL. IJCK 2007 !\COMMENT: X1.2 H2 / 2.000 / H2O / 6.000 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / HCO+O2<=>CO+HO2 +7.5800000E+012 +0.0000000E+000 +4.1000000E+002 !\AUTHOR: !\REF:TIMONEN ET AL., JPC, 92:651 (1988) !\COMMENT: HCO+O<=>CO+OH +3.0200000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: HCO+H<=>CO+H2 +7.3400000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TIMONEN ET AL., JPC, 92:651 (1988) !\COMMENT: HCO+OH<=>CO+H2O +3.0110000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: HCO+CH3<=>CH4+CO +2.6500000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:MULENKO, S.A. REV. ROUM. PHYS. 32, 173 (1987) !\COMMENT: HCO+HCO<=>CH2O+CO +1.8000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: HCO+O<=>CO2+H +3.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: HCO+HO2=>CO2+H+OH +3.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: HCO+HCO=>H2+CO+CO +3.0000000E+012 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: CH2O+H(+M)<=>CH2OH(+M) +5.4000000E+011 +4.5400000E-001 +3.6000000E+003 !\AUTHOR: !\REF:LASKIN ET AL. IJCK 32 589-614 2000 LOW / +1.2700000E+032 -4.8200000E+000 +6.5300000E+003 / !LOW-PRESSURE-LIMIT TROE / +7.1870000E-001 +1.0300000E+002 +1.2910000E+003 +4.1600000E+003 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / CH3O(+M)<=>CH2O+H(+M) +6.8000000E+013 +0.0000000E+000 +2.6170000E+004 !\AUTHOR: !\REF:HIPPLER ET AL. PCCP. 3: 3450--2458 (2001). LOW / +1.8670000E+025 -3.0000000E+000 +2.4307000E+004 / !LOW-PRESSURE-LIMIT TROE / +9.0000000E-001 +2.5000000E+003 +1.3000000E+003 +1.0000000E+099 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / CH2O+OH<=>HOCH2O +4.5000000E+015 -1.1000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:26TH INTL. COMBUSTION SYMP. P 497--504. !\COMMENT: HOCH2O<=>HOCHO+H +1.0000000E+014 +0.0000000E+000 +1.4900000E+004 !\AUTHOR: !\REF:CURRAN ESTIMATE !\COMMENT: WARNING: WHAT IS SOURCE OF RATE CONSTANT? HCO+O2<=>O2CHO +1.2000000E+011 +0.0000000E+000 -1.1000000E+003 !\AUTHOR: !\REF:CURRAN ESTIMATE !\COMMENT: WARNING: WHAT IS SOURCE OF RATE CONSTANT? HOCHO<=>CO+H2O +2.4500000E+012 +0.0000000E+000 +6.0470000E+004 !\AUTHOR: !\REF:BLAKE ET AL. J. CHEM. SOC. B: 10, 1923 (1971) !\COMMENT: HOCHO<=>CO2+H2 +2.9500000E+009 +0.0000000E+000 +4.8520000E+004 !\AUTHOR: !\REF:BLAKE ET AL. J. CHEM. SOC. B: 10, 1923 (1971) !\COMMENT: OCHO+HO2<=>HOCHO+O2 +3.5000000E+010 +0.0000000E+000 -3.2750000E+003 !\AUTHOR: !\REF:CURRAN ESTIMATE !\COMMENT: WARNING: WHAT IS SOURCE OF RATE CONSTANT? OCHO+H2O2<=>HOCHO+HO2 +2.4000000E+012 +0.0000000E+000 +1.0000000E+004 !\AUTHOR: !\REF:CURRAN ESTIMATE !\COMMENT: HOCHO+H=>H2+CO2+H +4.2400000E+006 +2.1000000E+000 +4.8680000E+003 !\AUTHOR: !\REF:MARINOV ESTIMATE !\COMMENT: HOCHO+H=>H2+CO+OH +6.0300000E+013 -3.5000000E-001 +2.9880000E+003 !\AUTHOR: !\REF:MARINOV ESTIMATE !\COMMENT: HOCHO+O=>CO+OH+OH +1.7700000E+018 -1.9000000E+000 +2.9750000E+003 !\AUTHOR: !\REF:MARINOV ESTIMATE !\COMMENT: HOCHO+OH=>H2O+CO2+H +2.6200000E+006 +2.0600000E+000 +9.1600000E+002 !\AUTHOR: !\REF:MARINOV ESTIMATE !\COMMENT: HOCHO+OH=>H2O+CO+OH +1.8500000E+007 +1.5100000E+000 -9.6200000E+002 !\AUTHOR: !\REF:MARINOV ESTIMATE !\COMMENT: HOCHO+CH3=>CH4+CO+OH +3.9000000E-007 +5.8000000E+000 +2.2000000E+003 !\AUTHOR: !\REF:MARINOV ESTIMATE !\COMMENT: HOCHO+HO2=>H2O2+CO+OH +1.0000000E+012 +0.0000000E+000 +1.1920000E+004 !\AUTHOR: !\REF:MARINOV ESTIMATE !\COMMENT: OCHO+OH<=>HO2CHO +2.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:WKM ESTIMATE !\COMMENT: WHAT IS SOURCE OF RATE CONSTANT? CH3+CH3(+M)<=>C2H6(+M) +2.2770000E+015 -6.9000000E-001 +1.7490000E+002 !\AUTHOR: !\REF:WANG ET AL., JPC A 107:11414 (2003) !\COMMENT: LOW / +8.0540000E+031 -3.7500000E+000 +9.8160000E+002 / !LOW-PRESSURE-LIMIT TROE / +0.0000000E+000 +5.7000000E+002 +1.0000000E+030 +1.0000000E+030 / !TROE PARAMETERS H2O / 5.000 / CO / 2.000 / CO2 / 3.000 / C2H5+H(+M)<=>C2H6(+M) +5.2100000E+017 -9.9000000E-001 +1.5800000E+003 !\AUTHOR: !\REF:WANG ET AL., JPC A 107:11414 (2003) !\COMMENT: LOW / +1.9900000E+041 -7.0800000E+000 +6.6850000E+003 / !LOW-PRESSURE-LIMIT TROE / +8.4200000E-001 +1.2500000E+002 +2.2190000E+003 +6.8820000E+003 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / C2H6+O2<=>C2H5+HO2 +6.0300000E+013 +0.0000000E+000 +5.1870000E+004 !\AUTHOR: !\REF:BAULCH ET AL., J. PHYS. CHEM. REF DATA, 21:411 (1992) !\COMMENT: C2H6+O<=>C2H5+OH +3.5500000E+006 +2.4000000E+000 +5.8300000E+003 !\AUTHOR: !\REF: MIYOSHI,A. ET AL., CHEM. PHYS. LETT. 204, 241-247 (1993) !\COMMENT: C2H6+H<=>C2H5+H2 +1.1500000E+008 +1.9000000E+000 +7.5300000E+003 !\AUTHOR: !\REF:WANG ET AL., JPC A 107:11414 (2003) !\COMMENT: C2H6+OH<=>C2H5+H2O +1.4800000E+007 +1.9000000E+000 +9.5000000E+002 !\AUTHOR: !\REF:CURRAN, FIT TO NIST DATABASE !\COMMENT: WARNING: WHAT IS ORIGINAL SOURCE OF NIST DATA? C2H6+HO2<=>C2H5+H2O2 +3.4600000E+001 +3.6100000E+000 +1.6920000E+004 !\AUTHOR: !\REF:J. AGUILERA-IPARRAGUIRRE ET AL. J PHYS CHEM A (2008) 112(30): 7047-7054. !\COMMENT: C2H6+CH3<=>C2H5+CH4 +5.5500000E-004 +4.7200000E+000 +3.2310000E+003 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: C2H6+CH3O<=>C2H5+CH3OH +2.4100000E+011 +0.0000000E+000 +7.0900000E+003 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: C2H6+CH3O2<=>C2H5+CH3O2H +1.9400000E+001 +3.6400000E+000 +1.7100000E+004 !\AUTHOR: !\REF:CARSTENSEN AND DEAN PROC COMBUST INST 30 (2005) 995–1003 !\COMMENT: C2H6+C2H5O2<=>C2H5+C2H5O2H +8.6000000E+000 +3.7600000E+000 +1.7200000E+004 !\AUTHOR: !\REF:CARSTENSEN AND DEAN PROC COMBUST INST 30 (2005) 995–1003 !\COMMENT: C2H4+H(+M)<=>C2H5(+M) +9.5690000E+008 +1.4630000E+000 +1.3550000E+003 !\AUTHOR: !\REF:MILLER KLIPPENSTEIN PCCP 2004, 6, 1192-1202 !\COMMENT: :HP AND LP LIMIT*0.7 LOW / +1.4190000E+039 -6.6420000E+000 +5.7690000E+003 / !LOW-PRESSURE-LIMIT TROE / -5.6900000E-001 +2.9900000E+002 -9.1470000E+003 +1.5240000E+002 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CH4 / 2.000 / CO / 1.500 / CO2 / 2.000 / C2H6 / 3.000 / C2H5+H<=>C2H4+H2 +2.0000000E+012 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF: CURRAN: FIT TO PRATT/ WOOD 84 AND PRATT/ VELDMAN 76 !\COMMENT: WHAT IS SOURCE OF ORIGINAL DATA? EXPERIMENT? THEORY? C2H4+C2H4<=>C2H5+C2H3 +4.8200000E+014 +0.0000000E+000 +7.1530000E+004 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: C2H5+CH3<=>CH4+C2H4 +1.1800000E+004 +2.4500000E+000 -2.9210000E+003 !\AUTHOR: !\REF:ZHU, R.S. ET AL.,J. CHEM. PHYS. 120:6566:6573 (2004) !\COMMENT: C2H5+O<=>CH3CHO+H +1.1000000E+014 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:GRI 3.0 !\COMMENT: C2H5+HO2<=>C2H5O+OH +1.1000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:CURRAN. BASED ON CH3+HO2<=>PRODUCTS !\COMMENT: C2H5+CH3O2<=>C2H5O+CH3O +8.0000000E+012 +0.0000000E+000 -1.0000000E+003 !\AUTHOR: !\REF:CURRAN. BASED ON CH3+HO2<=>PRODUCTS !\COMMENT: CH3+CH3<=>H+C2H5 +4.7400000E+012 +1.0500000E-001 +1.0664300E+004 !\AUTHOR: !\REF:STEWART ET AL C&F 1989 !\COMMENT: PLOG / +1.0000000E-002 +4.7400000E+012 +1.0500000E-001 +1.0664300E+004 / PLOG / +1.0000000E-001 +2.5700000E+013 -9.6000000E-002 +1.1406100E+004 / PLOG / +1.0000000E+000 +3.1000000E+014 -3.6200000E-001 +1.3372500E+004 / PLOG / +1.0000000E+001 +2.1500000E+010 +8.8500000E-001 +1.3532500E+004 / PLOG / +1.0000000E+002 +1.0320000E+002 +3.2300000E+000 +1.1236100E+004 / C2H5+O2<=>C2H5O2 +3.3980000E+053 -1.3900000E+001 +9.2790000E+003 !\AUTHOR: !\REF:John D. DeSain, J. Phys. Chem. A, 2003, 107 (22), pp 4415–4427 !\COMMENT: PLOG / +4.0000000E-002 +3.3980000E+053 -1.3900000E+001 +9.2790000E+003 / PLOG / +1.0000000E+000 +9.3620000E+059 -1.5280000E+001 +1.4240000E+004 / PLOG / +1.0000000E+001 +1.2620000E+060 -1.4910000E+001 +1.6240000E+004 / C2H5+O2<=>C2H4+HO2 +2.0940000E+009 +4.9000000E-001 -3.9140000E+002 !\AUTHOR: !\REF:John D. DeSain, J. Phys. Chem. A, 2003, 107 (22), pp 4415–4427 !\COMMENT: PLOG / +4.0000000E-002 +2.0940000E+009 +4.9000000E-001 -3.9140000E+002 / PLOG / +1.0000000E+000 +1.8430000E+007 +1.1300000E+000 -7.2060000E+002 / PLOG / +1.0000000E+001 +7.5610000E+014 -1.0100000E+000 +4.7490000E+003 / C2H5+O2<=>CH3CHO+OH +4.9080000E-006 +4.7600000E+000 +2.5430000E+002 !\AUTHOR: !\REF:John D. DeSain, J. Phys. Chem. A, 2003, 107 (22), pp 4415–4427 !\COMMENT: PLOG / +4.0000000E-002 +4.9080000E-006 +4.7600000E+000 +2.5430000E+002 / PLOG / +1.0000000E+000 +6.8030000E-002 +3.5700000E+000 +2.6430000E+003 / PLOG / +1.0000000E+001 +8.2650000E+002 +2.4100000E+000 +5.2850000E+003 / C2H5O2<=>CH3CHO+OH +1.2370000E+035 -9.4200000E+000 +3.6360000E+004 !\AUTHOR: !\REF:John D. DeSain, J. Phys. Chem. A, 2003, 107 (22), pp 4415–4427 !\COMMENT: PLOG / +4.0000000E-002 +1.2370000E+035 -9.4200000E+000 +3.6360000E+004 / PLOG / +1.0000000E+000 +1.6870000E+036 -9.2200000E+000 +3.8700000E+004 / PLOG / +1.0000000E+001 +2.5200000E+041 -1.0200000E+001 +4.3710000E+004 / C2H5O2<=>C2H4+HO2 +1.7820000E+032 -7.1000000E+000 +3.2840000E+004 !\AUTHOR: !\REF:John D. DeSain, J. Phys. Chem. A, 2003, 107 (22), pp 4415–4427 !\COMMENT: PLOG / +4.0000000E-002 +1.7820000E+032 -7.1000000E+000 +3.2840000E+004 / PLOG / +1.0000000E+000 +2.7010000E+037 -8.4700000E+000 +3.5840000E+004 / PLOG / +1.0000000E+001 +1.9800000E+038 -8.4600000E+000 +3.7900000E+004 / H2+C2H5O2<=>H+C2H5O2H +1.5000000E+014 +0.0000000E+000 +2.6030000E+004 !\AUTHOR: !\REF:TSANG & HAMPSON, METHANE, J. PHYS. CHEM. REF. DATA, VOL 15, 1986 !\COMMENT: C2H5O2+HO2<=>C2H5O2H+O2 +1.7500000E+010 +0.0000000E+000 -3.2750000E+003 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) !\COMMENT: C2H5O2+CH2O<=>C2H5O2H+HCO +1.9900000E+012 +0.0000000E+000 +1.1660000E+004 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: C2H5O2+CH4<=>C2H5O2H+CH3 +1.8100000E+011 +0.0000000E+000 +1.8480000E+004 !\AUTHOR: !\REF:BASED ON CH4+CH3O2 !\COMMENT: WARNING: C2H5O2+CH3OH<=>C2H5O2H+CH2OH +1.8100000E+012 +0.0000000E+000 +1.3710000E+004 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) !\COMMENT: C2H5O2H<=>C2H5O+OH +6.3100000E+014 +0.0000000E+000 +4.2300000E+004 !\AUTHOR: !\REF:CARSTENSEN AND DEAN PROC COMBUST INST 30 (2005) 995–1003 !\COMMENT: C2H3+H(+M)<=>C2H4(+M) +6.0800000E+012 +2.7000000E-001 +2.8000000E+002 !\AUTHOR: !\REF:GRI 3.0 !\COMMENT: LOW / +1.4000000E+030 -3.8600000E+000 +3.3200000E+003 / !LOW-PRESSURE-LIMIT TROE / +7.8200000E-001 +2.0750000E+002 +2.6630000E+003 +6.0950000E+003 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / C2H4+O2<=>C2H3+HO2 +4.2200000E+013 +0.0000000E+000 +5.7623100E+004 !\AUTHOR: !\REF:CHECK EFFECT!\!\!\!\!\ !\COMMENT: WARNING: SOURCE OF REFERENCE IS CONFUSING C2H4+H<=>C2H3+H2 +5.0700000E+007 +1.9300000E+000 +1.2950000E+004 !\AUTHOR: !\REF:KNYAZEV,V.D. ET AL.,J. PHYS. CHEM. 100, 11346-1135 (1996) !\COMMENT: C2H4+OH<=>C2H3+H2O +2.2300000E+004 +2.7450000E+000 +2.2155000E+003 !\AUTHOR: !\REF: FROM STANFORD !\COMMENT: WARNING: SOURCE OF RATE CONSTANT IS UNCLEAR C2H4+CH3O<=>C2H3+CH3OH +1.2000000E+011 +0.0000000E+000 +6.7500000E+003 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: C2H4+CH3O2<=>C2H3+CH3O2H +8.5900000E+000 +3.7540000E+000 +2.7132000E+004 !\AUTHOR: !\REF:FROM BILL PITZ'S SUGGESTION !\COMMENT: WKM 22/ 04/ 2010 WARNING: WHAT IS JUSTIFICATION FOR THIS RATE CONSTANT? WHY WAS IT SUGGESTED? C2H4+C2H5O2<=>C2H3+C2H5O2H +8.5900000E+000 +3.7540000E+000 +2.7132000E+004 !\AUTHOR: !\REF:FROM BILL PITZ'S SUGGESTION !\COMMENT: WKM 22/ 04/ 2010 WARNING: WHAT IS JUSTIFICATION FOR THIS RATE CONSTANT? WHY WAS IT SUGGESTED? C2H4+CH3<=>C2H3+CH4 +9.7600000E+002 +2.9470000E+000 +1.5148000E+004 !\AUTHOR: !\REF: WARNING REFERENCE UNCLEAR !\COMMENT: WARNING: SOURCE OF RATE CONSTANT UNCLEAR IN MECHANISM DUP C2H4+CH3<=>C2H3+CH4 +8.1300000E-005 +4.4170000E+000 +8.8358000E+003 !\AUTHOR: !\REF: !\COMMENT: DUP C2H4+O<=>CH3+HCO +7.4530000E+006 +1.8800000E+000 +1.8300000E+002 !\AUTHOR: !\REF: BAULCH ET AL. JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA: 34, 3, 757-1397 2005 !\COMMENT: MAKING BRANCHING RATIO 55:45 WARNING: C2H4+O<=>CH2CHO+H +6.0980000E+006 +1.8800000E+000 +1.8300000E+002 !\AUTHOR: !\REF: BAULCH ET AL. JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA: 34, 3, 757-1397 2005 !\COMMENT: MAKING BRANCHING RATIO 55:45 WARNING: C2H4+OH<=>CH3+CH2O +5.3500000E+000 +2.9200000E+000 -1.7327000E+003 !\AUTHOR: !\REF:SJK, J PHYS CHEM 110 2006 6960-6970 !\COMMENT: PLOG / +1.0000000E-002 +5.3500000E+000 +2.9200000E+000 -1.7327000E+003 / PLOG / +2.5000000E-002 +3.1900000E+001 +2.7100000E+000 -1.1723000E+003 / PLOG / +1.0000000E-001 +5.5500000E+002 +2.3600000E+000 -1.8080000E+002 / PLOG / +1.0000000E+000 +1.7800000E+005 +1.6800000E+000 +2.0605000E+003 / PLOG / +1.0000000E+001 +2.3700000E+009 +5.6000000E-001 +6.0067000E+003 / PLOG / +1.0000000E+002 +2.7600000E+013 -5.0000000E-001 +1.1455100E+004 / C2H4+OH<=>CH3CHO+H +2.3700000E-007 +5.3000000E+000 -2.0506000E+003 !\AUTHOR: !\REF:SJK, J PHYS CHEM 110 2006 6960-6970 !\COMMENT: PLOG / +1.0000000E-002 +2.3700000E-007 +5.3000000E+000 -2.0506000E+003 / PLOG / +2.5000000E-002 +8.7300000E-005 +4.5700000E+000 -6.1800000E+002 / PLOG / +1.0000000E-001 +4.0300000E-001 +3.5400000E+000 +1.8817000E+003 / PLOG / +1.0000000E+000 +2.3800000E-002 +3.9100000E+000 +1.7227000E+003 / PLOG / +1.0000000E+001 +8.2500000E+008 +1.0100000E+000 +1.0507300E+004 / PLOG / +1.0000000E+002 +6.8000000E+009 +8.1000000E-001 +1.3867300E+004 / C2H4+OH<=>PC2H4OH +1.7400000E+043 -1.0461000E+001 +7.6987000E+003 !\AUTHOR: !\REF:SJK, J PHYS CHEM 110 2006 6960-6970 !\COMMENT: PLOG / +1.0000000E-002 +1.7400000E+043 -1.0461000E+001 +7.6987000E+003 / PLOG / +2.5000000E-002 +3.2500000E+037 -8.6290000E+000 +5.2147000E+003 / PLOG / +1.0000000E-001 +1.8400000E+035 -7.7500000E+000 +4.9089000E+003 / PLOG / +1.0000000E+000 +2.5600000E+036 -7.7520000E+000 +6.9461000E+003 / PLOG / +1.0000000E+001 +3.7000000E+033 -6.5730000E+000 +7.6059000E+003 / PLOG / +1.0000000E+002 +1.1200000E+026 -4.1010000E+000 +5.7570000E+003 / C2H2+H(+M)<=>C2H3(+M) +1.7100000E+010 +1.2660000E+000 +2.7090000E+003 !\AUTHOR: !\REF:MILLER KLIPPENSTEIN PCCP 2004, 6, 1192-1202 !\COMMENT: LOW / +6.3460000E+031 -4.6640000E+000 +3.7800000E+003 / !LOW-PRESSURE-LIMIT TROE / +7.8800000E-001 -1.0200000E+004 +1.0000000E-030 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CO / 1.500 / CO2 / 2.000 / CH4 / 2.000 / C2H6 / 3.000 / C2H3+O2<=>C2H3OO +4.0700000E+027 -4.6700000E+000 +5.2220000E+003 ! !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +1.5500000E+024 -5.4500000E+000 +9.6620000E+003 / PLOG / +1.0000000E-001 +3.4800000E+056 -1.5010000E+001 +1.9160000E+004 / PLOG / +3.1600000E-001 +1.2500000E+064 -1.6970000E+001 +2.1290000E+004 / PLOG / +1.0000000E+000 +3.3400000E+061 -1.5790000E+001 +2.0150000E+004 / PLOG / +3.1600000E+000 +7.3400000E+053 -1.3110000E+001 +1.7300000E+004 / PLOG / +1.0000000E+001 +4.1600000E+048 -1.1210000E+001 +1.6000000E+004 / PLOG / +3.1600000E+001 +2.3300000E+043 -9.3800000E+000 +1.4810000E+004 / PLOG / +1.0000000E+002 +3.4100000E+039 -8.0400000E+000 +1.4360000E+004 / DUP C2H3+O2<=>C2H3OO +4.0700000E+027 -4.6700000E+000 +5.2220000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +1.7800000E-009 +4.1500000E+000 -4.7070000E+003 / PLOG / +1.0000000E-001 +2.3600000E+022 -4.5200000E+000 +2.8390000E+003 / PLOG / +3.1600000E-001 +2.0000000E+026 -5.4300000E+000 +2.7250000E+003 / PLOG / +1.0000000E+000 +6.1300000E+028 -5.8900000E+000 +3.1540000E+003 / PLOG / +3.1600000E+000 +2.1400000E+029 -5.8000000E+000 +3.5200000E+003 / PLOG / +1.0000000E+001 +3.4800000E+028 -5.3700000E+000 +3.6360000E+003 / PLOG / +3.1600000E+001 +3.3200000E+027 -4.9500000E+000 +3.6100000E+003 / PLOG / +1.0000000E+002 +1.0300000E+027 -4.7200000E+000 +3.6800000E+003 / DUP C2H3+O2<=>CH2CHO+O +1.7600000E+012 +1.5000000E-001 +4.2050000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +7.8800000E+020 -2.6700000E+000 +6.7420000E+003 / PLOG / +1.0000000E-001 +7.7200000E+020 -2.6700000E+000 +6.7130000E+003 / PLOG / +3.1600000E-001 +9.8700000E+020 -2.7000000E+000 +6.7240000E+003 / PLOG / +1.0000000E+000 +7.1000000E+020 -2.6500000E+000 +6.4890000E+003 / PLOG / +3.1600000E+000 +4.5000000E+020 -2.5300000E+000 +6.4060000E+003 / PLOG / +1.0000000E+001 +1.7600000E+023 -3.2200000E+000 +8.6970000E+003 / PLOG / +3.1600000E+001 +3.1400000E+025 -3.7700000E+000 +1.1530000E+004 / PLOG / +1.0000000E+002 +1.0200000E+026 -3.8000000E+000 +1.3910000E+004 / DUP C2H3+O2<=>CH2CHO+O +1.7600000E+012 +1.5000000E-001 +4.2050000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +1.3600000E+010 +6.2000000E-001 -2.7760000E+002 / PLOG / +1.0000000E-001 +1.4200000E+010 +6.2000000E-001 -2.4770000E+002 / PLOG / +3.1600000E-001 +1.6600000E+010 +6.0000000E-001 -1.6250000E+002 / PLOG / +1.0000000E+000 +2.0200000E+010 +5.8000000E-001 +3.8400000E+001 / PLOG / +3.1600000E+000 +9.7500000E+009 +6.7000000E-001 +2.4800000E+002 / PLOG / +1.0000000E+001 +7.3400000E+009 +7.2000000E-001 +7.7810000E+002 / PLOG / +3.1600000E+001 +1.5700000E+009 +9.2000000E-001 +1.2190000E+003 / PLOG / +1.0000000E+002 +7.8500000E+007 +1.2800000E+000 +1.4010000E+003 / DUP C2H3+O2<=>C2H2+HO2 +6.4900000E+006 +1.5000000E+000 +5.2180000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +1.0800000E+007 +1.2800000E+000 +3.3220000E+003 / PLOG / +1.0000000E-001 +7.7500000E+006 +1.3300000E+000 +3.2160000E+003 / PLOG / +3.1600000E-001 +1.2100000E+007 +1.2700000E+000 +3.3110000E+003 / PLOG / +1.0000000E+000 +2.1500000E+007 +1.1900000E+000 +3.3670000E+003 / PLOG / +3.1600000E+000 +1.1300000E+008 +1.0000000E+000 +3.6950000E+003 / PLOG / +1.0000000E+001 +1.3100000E+011 +1.2000000E-001 +5.8720000E+003 / PLOG / +3.1600000E+001 +1.1900000E+009 +8.2000000E-001 +5.6170000E+003 / PLOG / +1.0000000E+002 +1.0600000E+017 -1.4500000E+000 +1.2230000E+004 / DUP C2H3+O2<=>C2H2+HO2 +6.4900000E+006 +1.5000000E+000 +5.2180000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +4.7600000E+001 +2.7500000E+000 -7.9640000E+002 / PLOG / +1.0000000E-001 +5.1600000E+001 +2.7300000E+000 -7.6830000E+002 / PLOG / +3.1600000E-001 +5.5500000E+001 +2.7300000E+000 -6.5850000E+002 / PLOG / +1.0000000E+000 +4.6000000E+001 +2.7600000E+000 -4.9280000E+002 / PLOG / +3.1600000E+000 +3.7500000E+000 +3.0700000E+000 -6.0100000E+002 / PLOG / +1.0000000E+001 +5.4800000E+000 +3.0700000E+000 +8.5700000E+001 / PLOG / +3.1600000E+001 +4.4700000E+008 +0.0000000E+000 +9.5500000E+002 / PLOG / +1.0000000E+002 +2.0200000E+001 +2.9400000E+000 +1.8470000E+003 / DUP C2H3+O2<=>CH2CO+OH +1.1700000E+003 +2.4300000E+000 +7.0740000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +8.6600000E+002 +2.4100000E+000 +6.0610000E+003 / PLOG / +1.0000000E-001 +8.9100000E+002 +2.4100000E+000 +6.0780000E+003 / PLOG / +3.1600000E-001 +9.4300000E+002 +2.4000000E+000 +6.1120000E+003 / PLOG / +1.0000000E+000 +1.0600000E+003 +2.3900000E+000 +6.1800000E+003 / PLOG / +3.1600000E+000 +1.0900000E+003 +2.3800000E+000 +6.1790000E+003 / PLOG / +1.0000000E+001 +1.3900000E+003 +2.3600000E+000 +6.0740000E+003 / PLOG / +3.1600000E+001 +2.4900000E+006 +1.4200000E+000 +8.4800000E+003 / PLOG / +1.0000000E+002 +1.6600000E+010 +3.6000000E-001 +1.2010000E+004 / DUP C2H3+O2<=>CH2CO+OH +1.1700000E+003 +2.4300000E+000 +7.0740000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +1.8200000E-001 +3.1200000E+000 +1.3310000E+003 / PLOG / +1.0000000E-001 +2.0700000E-001 +3.1100000E+000 +1.3830000E+003 / PLOG / +3.1600000E-001 +2.7100000E-001 +3.0800000E+000 +1.4960000E+003 / PLOG / +1.0000000E+000 +5.2600000E-001 +3.0100000E+000 +1.7770000E+003 / PLOG / +3.1600000E+000 +1.3700000E+000 +2.9000000E+000 +2.2250000E+003 / PLOG / +1.0000000E+001 +4.1900000E-001 +2.9300000E+000 +2.0520000E+003 / PLOG / +3.1600000E+001 +1.1900000E-004 +4.2100000E+000 +2.0430000E+003 / PLOG / +1.0000000E+002 +1.3000000E-003 +3.9700000E+000 +3.4140000E+003 / DUP C2H3+O2<=>CH2O+HCO +1.1600000E+016 -1.1300000E+000 +3.7910000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +2.4900000E+036 -7.6000000E+000 +1.2640000E+004 / PLOG / +1.0000000E-001 +2.4300000E+036 -7.6000000E+000 +1.2610000E+004 / PLOG / +3.1600000E-001 +1.9500000E+036 -7.5700000E+000 +1.2490000E+004 / PLOG / +1.0000000E+000 +2.7300000E+035 -7.3200000E+000 +1.1820000E+004 / PLOG / +3.1600000E+000 +1.4300000E+036 -7.4700000E+000 +1.2460000E+004 / PLOG / +1.0000000E+001 +5.1800000E+035 -7.2000000E+000 +1.3430000E+004 / PLOG / +3.1600000E+001 +3.1900000E+020 -2.5700000E+000 +5.5780000E+003 / PLOG / +1.0000000E+002 +2.7300000E+033 -6.2800000E+000 +1.6000000E+004 / DUP C2H3+O2<=>CH2O+HCO +1.1600000E+016 -1.1300000E+000 +3.7910000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +4.5400000E+015 -1.2800000E+000 +5.1530000E+002 / PLOG / +1.0000000E-001 +4.5900000E+015 -1.2800000E+000 +5.1300000E+002 / PLOG / +3.1600000E-001 +4.8100000E+015 -1.2900000E+000 +5.2060000E+002 / PLOG / +1.0000000E+000 +6.0800000E+015 -1.3100000E+000 +6.4570000E+002 / PLOG / +3.1600000E+000 +9.4500000E+015 -1.3600000E+000 +1.0660000E+003 / PLOG / +1.0000000E+001 +2.5600000E+015 -1.1800000E+000 +1.4290000E+003 / PLOG / +3.1600000E+001 +1.0300000E+069 -1.9230000E+001 +1.4760000E+004 / PLOG / +1.0000000E+002 +4.2100000E+010 +1.9000000E-001 +8.3060000E+002 / DUP C2H3+O2=>CH2O+H+CO +1.1600000E+016 -1.1300000E+000 +3.7910000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +5.8200000E+036 -7.6000000E+000 +1.2640000E+004 / PLOG / +1.0000000E-001 +5.6600000E+036 -7.6000000E+000 +1.2610000E+004 / PLOG / +3.1600000E-001 +4.5500000E+036 -7.5700000E+000 +1.2490000E+004 / PLOG / +1.0000000E+000 +6.3600000E+035 -7.3200000E+000 +1.1820000E+004 / PLOG / +3.1600000E+000 +3.3500000E+036 -7.4700000E+000 +1.2460000E+004 / PLOG / +1.0000000E+001 +1.2100000E+036 -7.2000000E+000 +1.3430000E+004 / PLOG / +3.1600000E+001 +7.4300000E+020 -2.5700000E+000 +5.5780000E+003 / PLOG / +1.0000000E+002 +6.3600000E+033 -6.2800000E+000 +1.6000000E+004 / DUP C2H3+O2=>CH2O+H+CO +1.1600000E+016 -1.1300000E+000 +3.7910000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +1.0600000E+016 -1.2800000E+000 +5.1530000E+002 / PLOG / +1.0000000E-001 +1.0700000E+016 -1.2800000E+000 +5.1300000E+002 / PLOG / +3.1600000E-001 +1.1300000E+016 -1.2900000E+000 +5.2060000E+002 / PLOG / +1.0000000E+000 +1.4200000E+016 -1.3100000E+000 +6.4570000E+002 / PLOG / +3.1600000E+000 +2.2000000E+016 -1.3600000E+000 +1.0660000E+003 / PLOG / +1.0000000E+001 +5.9800000E+015 -1.1800000E+000 +1.4290000E+003 / PLOG / +3.1600000E+001 +2.3900000E+069 -1.9230000E+001 +1.4760000E+004 / PLOG / +1.0000000E+002 +9.8100000E+010 +1.9000000E-001 +8.3060000E+002 / DUP C2H3+O2<=>CO+CH3O +3.0900000E+013 -8.9000000E-001 +3.6820000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +8.1900000E+018 -2.6600000E+000 +3.2010000E+003 / PLOG / +1.0000000E-001 +4.0600000E+014 -1.3200000E+000 +8.8580000E+002 / PLOG / +3.1600000E-001 +4.3400000E+014 -1.3300000E+000 +9.0060000E+002 / PLOG / +1.0000000E+000 +1.0300000E+011 -3.3000000E-001 -7.4780000E+002 / PLOG / +3.1600000E+000 +1.8900000E+012 -3.0000000E+000 -8.9950000E+003 / PLOG / +1.0000000E+001 +1.9300000E+024 -5.6300000E+000 +1.8000000E+000 / PLOG / +3.1600000E+001 +1.1000000E+018 -2.2200000E+000 +5.1780000E+003 / PLOG / +1.0000000E+002 +5.7900000E+032 -6.4500000E+000 +1.6810000E+004 / DUP C2H3+O2<=>CO+CH3O +3.0900000E+013 -8.9000000E-001 +3.6820000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +1.2900000E+009 +1.8000000E-001 -1.7170000E+003 / PLOG / +1.0000000E-001 +5.9900000E+011 -2.9300000E+000 -9.5640000E+003 / PLOG / +3.1600000E-001 +2.9100000E+011 -2.9300000E+000 -1.0120000E+004 / PLOG / +1.0000000E+000 +5.7700000E+021 -3.5400000E+000 +4.7720000E+003 / PLOG / +3.1600000E+000 +4.9900000E+015 -1.6200000E+000 +1.8490000E+003 / PLOG / +1.0000000E+001 +9.3300000E+016 -1.9600000E+000 +3.3240000E+003 / PLOG / +3.1600000E+001 +1.0200000E+072 -2.0690000E+001 +1.5860000E+004 / PLOG / +1.0000000E+002 +1.1000000E+009 +3.1000000E-001 +1.0240000E+003 / DUP C2H3+O2<=>CO2+CH3 +6.1600000E+013 -1.0500000E+000 +3.7430000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +2.3700000E+035 -7.7600000E+000 +1.2630000E+004 / PLOG / +1.0000000E-001 +1.7300000E+035 -7.7200000E+000 +1.2520000E+004 / PLOG / +3.1600000E-001 +4.4700000E+034 -7.5500000E+000 +1.2140000E+004 / PLOG / +1.0000000E+000 +7.2500000E+031 -6.7000000E+000 +1.0440000E+004 / PLOG / +3.1600000E+000 +3.6300000E+035 -7.7500000E+000 +1.2830000E+004 / PLOG / +1.0000000E+001 +2.0900000E+035 -7.5300000E+000 +1.4050000E+004 / PLOG / +3.1600000E+001 +3.8400000E+018 -2.4400000E+000 +5.4080000E+003 / PLOG / +1.0000000E+002 +1.2100000E+032 -6.3200000E+000 +1.6190000E+004 / DUP C2H3+O2<=>CO2+CH3 +6.1600000E+013 -1.0500000E+000 +3.7430000E+003 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +6.2700000E+013 -1.1600000E+000 +4.0630000E+002 / PLOG / +1.0000000E-001 +6.2400000E+013 -1.1600000E+000 +4.0140000E+002 / PLOG / +3.1600000E-001 +6.1200000E+013 -1.1600000E+000 +3.9700000E+002 / PLOG / +1.0000000E+000 +5.3200000E+013 -1.1400000E+000 +4.4670000E+002 / PLOG / +3.1600000E+000 +1.4500000E+014 -1.2600000E+000 +9.8770000E+002 / PLOG / +1.0000000E+001 +5.0200000E+013 -1.1100000E+000 +1.4090000E+003 / PLOG / +3.1600000E+001 +1.4000000E+070 -2.0110000E+001 +1.5430000E+004 / PLOG / +1.0000000E+002 +9.2100000E+008 +2.5000000E-001 +8.5530000E+002 / DUP C2H3OO<=>CH2CHO+O +1.2200000E+029 -4.7100000E+000 +4.2340000E+004 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +2.7000000E+180 -4.8190000E+001 +1.6930000E+005 / PLOG / +1.0000000E-001 +3.9000000E+038 -8.6900000E+000 +4.2770000E+004 / PLOG / +3.1600000E-001 +4.5700000E+047 -1.1210000E+001 +4.7050000E+004 / PLOG / +1.0000000E+000 +7.6200000E+081 -2.1280000E+001 +6.5080000E+004 / PLOG / +3.1600000E+000 +1.8600000E+068 -1.6830000E+001 +6.0680000E+004 / PLOG / +1.0000000E+001 +2.0200000E+055 -1.2690000E+001 +5.5840000E+004 / PLOG / +3.1600000E+001 +1.1100000E+053 -1.1790000E+001 +5.6690000E+004 / PLOG / +1.0000000E+002 +4.3000000E+048 -1.0310000E+001 +5.6090000E+004 / DUP C2H3OO<=>CH2CHO+O +1.2200000E+029 -4.7100000E+000 +4.2340000E+004 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +1.4700000E+030 -6.6400000E+000 +4.1110000E+004 / PLOG / +1.0000000E-001 +9.6500000E-012 +5.9600000E+000 +2.2890000E+004 / PLOG / +3.1600000E-001 +3.9500000E+022 -3.7100000E+000 +3.6270000E+004 / PLOG / +1.0000000E+000 +2.3900000E+033 -6.6200000E+000 +4.1280000E+004 / PLOG / +3.1600000E+000 +6.3700000E+031 -5.9600000E+000 +4.1260000E+004 / PLOG / +1.0000000E+001 +2.1300000E+029 -5.1000000E+000 +4.0710000E+004 / PLOG / +3.1600000E+001 +4.6600000E+027 -4.5000000E+000 +4.0530000E+004 / PLOG / +1.0000000E+002 +5.9900000E+025 -3.8500000E+000 +4.0120000E+004 / DUP C2H3OO<=>CH2CO+OH +1.5500000E+024 -3.8700000E+000 +4.9850000E+004 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +1.1500000E+047 -1.2280000E+001 +7.5330000E+004 / PLOG / +1.0000000E-001 +8.4300000E+009 -2.0600000E+000 +3.3720000E+004 / PLOG / +3.1600000E-001 +6.0600000E+004 +1.7000000E-001 +3.4220000E+004 / PLOG / +1.0000000E+000 +1.5100000E+019 -3.6100000E+000 +4.3060000E+004 / PLOG / +3.1600000E+000 +2.1300000E+033 -7.3900000E+000 +5.1610000E+004 / PLOG / +1.0000000E+001 +4.4400000E+036 -7.9900000E+000 +5.4680000E+004 / PLOG / +3.1600000E+001 +1.1900000E+037 -7.8000000E+000 +5.6460000E+004 / PLOG / +1.0000000E+002 +9.0800000E+035 -7.2100000E+000 +5.7550000E+004 / DUP C2H3OO<=>CH2CO+OH +1.5500000E+024 -3.8700000E+000 +4.9850000E+004 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +2.3100000E+002 -7.3000000E-001 +2.5710000E+004 / PLOG / +1.0000000E-001 +1.8300000E-023 +7.8400000E+000 +2.0190000E+004 / PLOG / +3.1600000E-001 +3.8200000E+063 -2.0440000E+001 +4.3420000E+004 / PLOG / +1.0000000E+000 +3.1800000E+027 -7.7600000E+000 +3.7230000E+004 / PLOG / +3.1600000E+000 +2.3200000E-005 +3.4700000E+000 +3.1560000E+004 / PLOG / +1.0000000E+001 +1.0600000E-001 +2.6400000E+000 +3.4160000E+004 / PLOG / +3.1600000E+001 +5.6200000E+002 +1.7000000E+000 +3.6450000E+004 / PLOG / +1.0000000E+002 +1.1100000E+007 +5.2000000E-001 +3.8670000E+004 / DUP C2H3OO<=>CH2O+HCO +1.1900000E+020 -2.2900000E+000 +3.0170000E+004 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +1.6600000E+174 -5.5520000E+001 +6.0320000E+004 / PLOG / +1.0000000E-001 +9.0300000E+066 -1.7250000E+001 +4.8120000E+004 / PLOG / +3.1600000E-001 +1.8200000E+043 -9.8700000E+000 +3.7960000E+004 / PLOG / +1.0000000E+000 +8.6400000E+033 -6.8800000E+000 +3.4370000E+004 / PLOG / +3.1600000E+000 +7.2900000E+171 -4.3530000E+001 +1.9190000E+005 / PLOG / +1.0000000E+001 +1.0300000E+032 -6.0600000E+000 +3.5500000E+004 / PLOG / +3.1600000E+001 +1.8500000E+034 -6.5700000E+000 +3.8510000E+004 / PLOG / +1.0000000E+002 +5.7000000E+029 -5.1900000E+000 +3.6800000E+004 / DUP C2H3OO<=>CH2O+HCO +1.1900000E+020 -2.2900000E+000 +3.0170000E+004 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +2.2700000E+035 -7.9700000E+000 +3.1280000E+004 / PLOG / +1.0000000E-001 +2.0800000E+026 -4.9600000E+000 +2.8780000E+004 / PLOG / +3.1600000E-001 +1.4500000E+020 -3.0800000E+000 +2.6630000E+004 / PLOG / +1.0000000E+000 +1.0600000E+130 -3.9380000E+001 +5.4700000E+004 / PLOG / +3.1600000E+000 +2.3500000E+034 -6.8700000E+000 +3.5700000E+004 / PLOG / +1.0000000E+001 +2.1800000E+175 -5.3780000E+001 +6.8500000E+004 / PLOG / +3.1600000E+001 +1.0700000E+185 -5.4220000E+001 +8.8990000E+004 / PLOG / +1.0000000E+002 +4.6800000E+002 +1.8100000E+000 +1.8100000E+004 / DUP C2H3OO=>CH2O+H+CO +1.1900000E+020 -2.2900000E+000 +3.0170000E+004 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +3.8800000E+174 -5.5520000E+001 +6.0320000E+004 / PLOG / +1.0000000E-001 +2.1100000E+067 -1.7250000E+001 +4.8120000E+004 / PLOG / +3.1600000E-001 +4.2600000E+043 -9.8700000E+000 +3.7960000E+004 / PLOG / +1.0000000E+000 +2.0200000E+034 -6.8800000E+000 +3.4370000E+004 / PLOG / +3.1600000E+000 +1.7000000E+172 -4.3530000E+001 +1.9190000E+005 / PLOG / +1.0000000E+001 +2.4000000E+032 -6.0600000E+000 +3.5500000E+004 / PLOG / +3.1600000E+001 +4.3200000E+034 -6.5700000E+000 +3.8510000E+004 / PLOG / +1.0000000E+002 +1.3300000E+030 -5.1900000E+000 +3.6800000E+004 / DUP C2H3OO=>CH2O+H+CO +1.1900000E+020 -2.2900000E+000 +3.0170000E+004 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +5.2900000E+035 -7.9700000E+000 +3.1280000E+004 / PLOG / +1.0000000E-001 +4.8500000E+026 -4.9600000E+000 +2.8780000E+004 / PLOG / +3.1600000E-001 +3.3700000E+020 -3.0800000E+000 +2.6630000E+004 / PLOG / +1.0000000E+000 +2.4600000E+130 -3.9380000E+001 +5.4700000E+004 / PLOG / +3.1600000E+000 +5.4900000E+034 -6.8700000E+000 +3.5700000E+004 / PLOG / +1.0000000E+001 +5.0900000E+175 -5.3780000E+001 +6.8500000E+004 / PLOG / +3.1600000E+001 +2.4900000E+185 -5.4220000E+001 +8.8990000E+004 / PLOG / +1.0000000E+002 +1.0900000E+003 +1.8100000E+000 +1.8100000E+004 / DUP C2H3OO<=>CO+CH3O +1.1600000E-001 +3.1600000E+000 +1.8420000E+004 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: WARNING: JOURNAL REFERENCE MISSING WARNING: Y. LI HAS REFITTED SOME RATE CONSTANTS. PLOG / +1.0000000E-002 +5.2000000E+033 -7.9200000E+000 +3.1320000E+004 / PLOG / +1.0000000E-001 +1.2600000E+098 -2.7090000E+001 +6.4060000E+004 / PLOG / +3.1600000E-001 +1.8000000E+033 -7.2700000E+000 +3.3760000E+004 / PLOG / +1.0000000E+000 +3.8300000E+033 -7.2000000E+000 +3.5100000E+004 / PLOG / +3.1600000E+000 +1.2800000E+079 -1.9610000E+001 +7.4870000E+004 / PLOG / +1.0000000E+001 +4.0700000E+032 -6.6200000E+000 +3.7210000E+004 / PLOG / +3.1600000E+001 +6.8600000E+044 -1.0040000E+001 +4.7030000E+004 / PLOG / +1.0000000E+002 +1.0000000E-010 +0.0000000E+000 +0.0000000E+000 / DUP C2H3OO<=>CO+CH3O +1.1600000E-001 +3.1600000E+000 +1.8420000E+004 !\AUTHOR: !\REF: Goldsmith YEAR JOURNAL ETC !\COMMENT: !Refitted by Yang from 500K to 2000K, maximum error is 18.13% PLOG / +1.0000000E-002 +2.3100000E+129 -4.1860000E+001 +4.5850000E+004 / PLOG / +1.0000000E-001 +2.4200000E+028 -5.9900000E+000 +3.0540000E+004 / PLOG / +3.1600000E-001 +8.6900000E-050 +1.6630000E+001 -3.9000000E+003 / PLOG / +1.0000000E+000 +1.1900000E-039 +1.3610000E+001 -1.3170000E+003 / PLOG / +3.1600000E+000 +8.8000000E+086 -2.3080000E+001 +6.1010000E+004 / PLOG / +1.0000000E+001 +1.2700000E+003 +1.4400000E+000 +1.8660000E+004 / PLOG / +3.1600000E+001 +1.9700000E+017 -2.2300000E+000 +2.8590000E+004 / PLOG / +1.0000000E+002 +3.2500000E+004 +1.6940000E+000 +2.3327600E+004 / DUP C2H3+H<=>C2H2+H2 +1.7000000E+014 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:86TSA/ HAM !\COMMENT: C2H3+OH<=>C2H2+H2O +3.0110000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: C2H3+CH3<=>CH4+C2H2 +3.9200000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:Tsang, W.; Hampson, R.F., J. Phys. Chem. Ref. Data 15, 1087 (1986) !\COMMENT: C2H3+C2H3<=>C2H2+C2H4 +9.6000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: C2H2+O<=>HCCO+H +2.9580000E+009 +1.2800000E+000 +2.4720000E+003 !\AUTHOR: !\REF:NGUYEN ET AL. J.PHYS.CHEM A 2006, 110, 6696-6706 !\COMMENT: C2H2+HO2<=>CH2CO+OH +6.0300000E+009 +0.0000000E+000 +7.9490000E+003 !\AUTHOR: !\REF:NGUYEN ET AL. J.PHYS.CHEM A 2006, 110, 6696-6706 !\COMMENT: C2H2+HCO<=>C2H3+CO +1.0000000E+007 +2.0000000E+000 +6.0000000E+003 !\AUTHOR: !\REF:GRI 3.0 AND USC II !\COMMENT: WARNING: WHICH IS FROM GRI AND WHICH IS USC? C2H2+OH<=>CH2CO+H +1.5780000E+003 +2.5600000E+000 -8.4450000E+002 !\AUTHOR: !\REF:SJK J. PHYS. CHEM A 2005, 109, 6045-6055 !\COMMENT: PLOG / +1.0000000E-002 +1.5780000E+003 +2.5600000E+000 -8.4450000E+002 / PLOG / +2.5000000E-002 +1.5180000E+004 +2.2800000E+000 -2.9210000E+002 / PLOG / +1.0000000E-001 +3.0170000E+005 +1.9200000E+000 +5.9810000E+002 / PLOG / +1.0000000E+000 +7.5280000E+006 +1.5500000E+000 +2.1060000E+003 / PLOG / +1.0000000E+001 +5.1010000E+006 +1.6500000E+000 +3.4000000E+003 / PLOG / +1.0000000E+002 +1.4570000E+004 +2.4500000E+000 +4.4770000E+003 / C2H2+OH<=>CH3+CO +4.7570000E+005 +1.6800000E+000 -3.2980000E+002 !\AUTHOR: !\REF:SJK J. PHYS. CHEM A 2005, 109, 6045-6055 !\COMMENT: PLOG / +1.0000000E-002 +4.7570000E+005 +1.6800000E+000 -3.2980000E+002 / PLOG / +2.5000000E-002 +4.3720000E+006 +1.4000000E+000 +2.2650000E+002 / PLOG / +1.0000000E-001 +7.6480000E+007 +1.0500000E+000 +1.1150000E+003 / PLOG / +1.0000000E+000 +1.2770000E+009 +7.3000000E-001 +2.5790000E+003 / PLOG / +1.0000000E+001 +4.3120000E+008 +9.2000000E-001 +3.7360000E+003 / PLOG / +1.0000000E+002 +8.2500000E+005 +1.7700000E+000 +4.6970000E+003 / CH3CHO(+M)<=>CH3+HCO(+M) +2.4500000E+022 -1.7400000E+000 +8.6355000E+004 !\AUTHOR: !\REF:SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL 114, NO. 2, 2010 !\COMMENT: LOW / +1.0300000E+059 -1.1300000E+001 +9.5912500E+004 / !LOW-PRESSURE-LIMIT TROE / +2.4900000E-003 +7.1810000E+002 +6.0890000E+000 +3.7800000E+003 / !TROE PARAMETERS CH3CHO(+M)<=>CH4+CO(+M) +2.7200000E+021 -1.7400000E+000 +8.6355000E+004 !\AUTHOR: !\REF:SIVARAMAKRISHNAN J. PHYS. CHEM. A, VOL 114, NO. 2, 2010 !\COMMENT: LOW / +1.1440000E+058 -1.1300000E+001 +9.5912500E+004 / !LOW-PRESSURE-LIMIT TROE / +2.4900000E-003 +7.1810000E+002 +6.0890000E+000 +3.7800000E+003 / !TROE PARAMETERS CH3CHO+H<=>CH2CHO+H2 +2.7200000E+003 +3.1000000E+000 +5.2100000E+003 !\AUTHOR: !\REF:HARDING J. PHYS. CHEM., VOL. 114, NO. 2, 2010 !\COMMENT: CH3CHO+OH<=>CH2CHO+H2O +1.7200000E+005 +2.4000000E+000 +8.1500000E+002 !\AUTHOR: !\REF:TAYLOR ET AL. 1996 !\COMMENT: CH3CHO+OH<=>CH3+HOCHO +3.0000000E+015 -1.0760000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TAYLOR ET AL. 1996 !\COMMENT: CH2CHO(+M)<=>CH2CO+H(+M) +1.4300000E+015 -1.5000000E-001 +4.5600000E+004 !\AUTHOR: !\REF:J. PHYS. CHEM. A 2006, 110, 5772-5781 !\COMMENT: LOW / +6.0000000E+029 -3.8000000E+000 +4.3423900E+004 / !LOW-PRESSURE-LIMIT TROE / +9.8500000E-001 +3.9300000E+002 +9.8000000E+009 +5.0000000E+009 / !TROE PARAMETERS CH2CHO(+M)<=>CH3+CO(+M) +2.9300000E+012 +2.9000000E-001 +4.0300000E+004 !\AUTHOR: !\REF:J. PHYS. CHEM. A 2006, 110, 5772-5781 !\COMMENT: LOW / +9.5200000E+033 -5.0700000E+000 +4.1300000E+004 / !LOW-PRESSURE-LIMIT TROE / +7.1300000E-017 +1.1500000E+003 +4.9900000E+009 +1.7900000E+009 / !TROE PARAMETERS CH2CHO+O2<=>O2CH2CHO +1.5800000E+077 -2.1900000E+001 +1.9350000E+004 !\AUTHOR: !\REF:J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107 (19), 3778-3791 !\COMMENT: PLOG / +1.0000000E-002 +1.5800000E+077 -2.1900000E+001 +1.9350000E+004 / PLOG / +1.0000000E-001 +3.8800000E+069 -1.8840000E+001 +1.9240000E+004 / PLOG / +1.0000000E+000 +7.8000000E+059 -1.5400000E+001 +1.7650000E+004 / PLOG / +1.0000000E+001 +3.0500000E+050 -1.2200000E+001 +1.5630000E+004 / CH2CHO+O2<=>CH2CO+HO2 +1.8800000E+005 +2.3700000E+000 +2.3730000E+004 !\AUTHOR: !\REF:J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107 (19), 3778-3791 !\COMMENT: PLOG / +1.0000000E-002 +1.8800000E+005 +2.3700000E+000 +2.3730000E+004 / PLOG / +1.0000000E-001 +1.8800000E+005 +2.3700000E+000 +2.7370000E+004 / PLOG / +1.0000000E+000 +2.5100000E+005 +2.3300000E+000 +2.3800000E+004 / PLOG / +1.0000000E+001 +7.0500000E+007 +1.6300000E+000 +2.5290000E+004 / CH2CHO+O2=>CH2O+CO+OH +2.6800000E+017 -1.8400000E+000 +6.5300000E+003 !\AUTHOR: !\REF:J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107 (19), 3778-3791 !\COMMENT: PLOG / +1.0000000E-002 +2.6800000E+017 -1.8400000E+000 +6.5300000E+003 / PLOG / +1.0000000E-001 +1.5200000E+020 -2.5800000E+000 +8.9800000E+003 / PLOG / +1.0000000E+000 +1.6500000E+019 -2.2200000E+000 +1.0340000E+004 / PLOG / +1.0000000E+001 +8.9530000E+013 -6.0000000E-001 +1.0120000E+004 / CH2CHO+O2<=>HO2CH2CO +3.6400000E+065 -2.1870000E+001 +1.9020000E+004 !\AUTHOR: !\REF:J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107 (19), 3778-3791 !\COMMENT: PLOG / +1.0000000E-002 +3.6400000E+065 -2.1870000E+001 +1.9020000E+004 / PLOG / +1.0000000E-001 +3.6400000E+058 -1.9000000E+001 +1.9090000E+004 / PLOG / +1.0000000E+000 +6.6500000E+048 -1.5550000E+001 +1.7460000E+004 / PLOG / +1.0000000E+001 +4.8000000E+038 -1.2140000E+001 +1.4960000E+004 / O2CH2CHO<=>HO2CH2CO +8.2700000E+030 -6.6500000E+000 +2.4500000E+004 !\AUTHOR: !\REF:J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107 (19), 3778-3791 !\COMMENT: PLOG / +1.0000000E-002 +8.2700000E+030 -6.6500000E+000 +2.4500000E+004 / PLOG / +1.0000000E-001 +1.7300000E+026 -4.9900000E+000 +2.3760000E+004 / PLOG / +1.0000000E+000 +9.0300000E+019 -2.9200000E+000 +2.2170000E+004 / PLOG / +1.0000000E+001 +1.4300000E+016 -1.6700000E+000 +2.1210000E+004 / O2CH2CHO<=>CH2CO+HO2 +2.0500000E+040 -1.3310000E+001 +5.2150000E+004 !\AUTHOR: !\REF:J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107 (19), 3778-3791 !\COMMENT: PLOG / +1.0000000E-002 +2.0500000E+040 -1.3310000E+001 +5.2150000E+004 / PLOG / +1.0000000E-001 +5.7200000E+045 -1.4000000E+001 +5.2200000E+004 / PLOG / +1.0000000E+000 +4.1600000E+055 -1.5760000E+001 +5.5080000E+004 / PLOG / +1.0000000E+001 +1.1200000E+061 -1.6040000E+001 +6.0010000E+004 / HO2CH2CO=>CO+CH2O+OH +2.3600000E+017 -2.9500000E+000 +8.1000000E+003 !\AUTHOR: !\REF:J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107 (19), 3778-3791 !\COMMENT: PLOG / +1.0000000E-002 +2.3600000E+017 -2.9500000E+000 +8.1000000E+003 / PLOG / +1.0000000E-001 +2.3800000E+018 -2.9500000E+000 +8.1000000E+003 / PLOG / +1.0000000E+000 +2.5100000E+019 -2.9500000E+000 +8.1100000E+003 / PLOG / +1.0000000E+001 +4.1600000E+020 -3.0200000E+000 +8.2400000E+003 / HO2CH2CO<=>CH2CO+HO2 +1.1200000E+007 -3.7600000E+000 +2.1680000E+004 !\AUTHOR: !\REF:J. LEE, AND J.W. BOZZELLI. J. PHYS. CHEM. A, 2003, 107 (19), 3778-3791 !\COMMENT: PLOG / +1.0000000E-002 +1.1200000E+007 -3.7600000E+000 +2.1680000E+004 / PLOG / +1.0000000E-001 +1.1000000E+008 -3.7600000E+000 +2.1680000E+004 / PLOG / +1.0000000E+000 +9.2000000E+008 -3.7300000E+000 +2.1630000E+004 / PLOG / +1.0000000E+001 +2.0900000E+009 -3.5500000E+000 +2.1220000E+004 / CH2CO+H<=>HCCO+H2 +1.4010000E+015 -1.7100000E-001 +8.7832000E+003 !\AUTHOR: !\REF:WKM (SEE COMMENTS AT BEGINNING OF FILE 15/ 09/ 2011 !\COMMENT: WARNING: SEE COMMENTS IN PREVIOUS VERSION OF MECHANISM CH2CO+O<=>HCCO+OH +1.0000000E+013 +0.0000000E+000 +8.0000000E+003 !\AUTHOR: !\REF:WKM ESTIMATE !\COMMENT: WARNING: WHAT IS SOURCE OF ESTIMATE? CH2CO+OH<=>HCCO+H2O +1.0000000E+013 +0.0000000E+000 +2.0000000E+003 !\AUTHOR: !\REF:WKM ESTIMATE !\COMMENT: WARNING: WHAT IS SOURCE OF ESTIMATE? CH2CO+H<=>CH3+CO +7.7040000E+013 -1.7100000E-001 +4.1832000E+003 !\AUTHOR: !\REF:WKM (SEE COMMENTS AT BEGINNING OF FILE 15/ 09/ 2011 !\COMMENT: WARNING: SEE COMMENTS IN PREVIOUS VERSION OF MECHANISM CH2CO+OH<=>CH2OH+CO +2.0000000E+012 +0.0000000E+000 -1.0100000E+003 !\AUTHOR: !\REF:BROWN ET AL. CHEM. PHYS. LETT. 1989, 161, 491. !\COMMENT: CH2CO+CH3<=>C2H5+CO +4.7690000E+004 +2.3120000E+000 +9.4680000E+003 !\AUTHOR: !\REF:WKM CALCULATION !\COMMENT: CHEMICALLY ACTIVATED, APPEARS PRESSURE INDEPENDANT HCCO+OH=>H2+CO+CO +1.0000000E+014 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:WKM CALCULATION !\COMMENT: CHEMICALLY ACTIVATED, APPEARS PRESSURE INDEPENDANT HCCO+O=>H+CO+CO +8.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:WKM CALCULATION !\COMMENT: CHEMICALLY ACTIVATED, APPEARS PRESSURE INDEPENDANT HCCO+O2=>OH+CO+CO +1.9100000E+011 -2.0000000E-002 +1.0200000E+003 !\AUTHOR: !\REF:KLIPPENSTEIN 2002 !\COMMENT: WARNING: WHAT IS JOURNAL/ISSUE? HCCO+O2=>CO2+CO+H +4.7800000E+012 -1.4200000E-001 +1.1500000E+003 !\AUTHOR: !\REF:KLIPPENSTEIN 2002 !\COMMENT: WARNING: WHAT IS JOURNAL/ISSUE? CH3+CH2O<=>C2H5O +3.0000000E+011 +0.0000000E+000 +6.3360000E+003 !\AUTHOR: !\REF: CURRAN ESTIMATE !\COMMENT: WARNING: WHAT IS SOURCE OF RATE CONSTANT? CH3CHO+H<=>C2H5O +4.6100000E+007 +1.7100000E+000 +7.0900000E+003 !\AUTHOR: !\REF:HARDING J. PHYS. CHEM., VOL. 114, NO. 2, 2010 !\COMMENT: C2H5O+O2<=>CH3CHO+HO2 +4.2800000E+010 +0.0000000E+000 +1.0970000E+003 !\AUTHOR: !\REF: HARTMANN ET AL. 1990 !\COMMENT: O2C2H4OH<=>PC2H4OH+O2 +3.9000000E+016 -1.0000000E+000 +3.0000000E+004 !\AUTHOR: !\REF:BASED ON C3H6OH+O2 REACTION !\COMMENT: O2C2H4OH=>OH+CH2O+CH2O +1.2500000E+011 +0.0000000E+000 +1.8900000E+004 !\AUTHOR: !\REF:CURRAN ESTIMATE !\COMMENT: WARNING: WHAT IS SOURCE OF RATE CONSTANT? CH3O+HCO<=>CH3OH+CO +9.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:Friedrichs, G.; Davidson, D. F.; Hanson, R. K. Int J. Chem. Kinet. 2004, 36, 157. !\COMMENT: Ultan added 21/08/15 IC3H7+H<=>C2H5+CH3 +2.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:GLAUDE,P.A. ET AL,PROC. COMBUST. INST !\COMMENT: IC3H7+OH<=>C3H6+H2O +2.4100000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887 (1988) !\COMMENT: IC3H7+O<=>CH3CHO+CH3 +4.8180000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887 (1988) !\COMMENT: NC3H7+HO2<=>NC3H7O+OH +7.0000000E+012 +0.0000000E+000 -1.0000000E+003 !\AUTHOR: !\REF: WARNING !\COMMENT: WARNING: NO REFERENCE NC3H7+CH3O2<=>NC3H7O+CH3O +7.0000000E+012 +0.0000000E+000 -1.0000000E+003 !\AUTHOR: !\REF: WARNING !\COMMENT: WARNING: NO REFERENCE C2H5+CH2O<=>NC3H7O +1.0000000E+011 +0.0000000E+000 +3.4960000E+003 !\AUTHOR: !\REF: H.J. Curran, International Journal of Chemical Kinetics (2006) 38: 250–275. !\COMMENT: NC3H7+O2<=>C3H6+HO2 +3.0000000E-019 +0.0000000E+000 +3.0000000E+003 !\AUTHOR: !\REF:REF:CURRAN INC. INT J CHEM KINET 38: 250–275, 2006 !\COMMENT: NC3H7+O2<=>NC3H7O2 +1.0000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\COMMENT: !0512 ADD KWZ PLOG / +1.0000000E-002 +9.2000000E+008 +4.0500000E-001 -4.3986500E+003 / PLOG / +1.0000000E-001 +1.4500000E+014 -9.8400000E-001 -1.7108000E+003 / PLOG / +1.0000000E+000 +2.0900000E+013 -4.9900000E-001 -9.3842300E+002 / PLOG / +1.0000000E+001 +1.1500000E+020 -2.4200000E+000 +2.4512600E+003 / PLOG / +1.0000000E+002 +2.0700000E+016 -1.3000000E+000 +8.0341900E+002 / IC3H7+O2<=>IC3H7O2 +1.0000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\COMMENT: !0512 ADD KWZ PLOG / +1.0000000E-002 +7.3300000E+005 +1.3300000E+000 -6.3456400E+003 / PLOG / +1.0000000E-001 +2.2400000E+011 -1.0500000E-001 -3.6978700E+003 / PLOG / +1.0000000E+000 +1.5400000E+018 -2.0200000E+000 -4.9856700E+002 / PLOG / +1.0000000E+001 +6.7400000E+027 -4.8500000E+000 +3.7798200E+003 / PLOG / +1.0000000E+002 +1.6700000E+029 -5.1500000E+000 +5.0364500E+003 / IC3H7O2<=>C3H6+HO2 +1.2240000E+009 +1.2800000E+000 +3.0000000E+004 !\AUTHOR: !\REF: WARNING NO REFERENCE !\COMMENT: WARNING: CANNOT TELL WHAT REFERENCE IS NC3H7O2<=>C3H6+HO2 +6.2400000E+008 +1.2500000E+000 +2.9600000E+004 !\AUTHOR: !\REF: \VLN 2011 !\COMMENT: WARNING: CANNOT TELL WHAT REFERENCE IS NC3H7O2<=>C3H6OOH1-2 +4.0900000E+008 +1.1000000E+000 +3.0100000E+004 !\AUTHOR: !\REF:Sharma !\COMMENT: WARNING: KPS-NO CLUE AS TO SOURCE NC3H7O2<=>C3H6OOH1-3 +3.5660000E+006 +1.6000000E+000 +2.1000000E+004 !\AUTHOR: !\REF !\COMMENT: WARNING: KPS-NO CLUE AS TO SOURCE C3H6OOH1-2<=>C3H6O1-2+OH +1.2100000E+009 +1.0500000E+000 +1.1300000E+004 !\AUTHOR: !\REF:HIGH PRESSURE RATE RULES FOR ALKYL+O2 REACTIONS 2 VLN2012 !\COMMENT: C3H6OOH1-2<=>C3H6+HO2 +2.3400000E+010 +7.7000000E-001 +1.5300000E+004 !\AUTHOR: !\REF:Villano !\COMMENT: C3H6OOH1-3=>OH+CH2O+C2H4 +2.8900000E+009 +1.3000000E+000 +2.6700000E+004 !\AUTHOR: !\REF:Villano !\COMMENT: C3H6OOH1-2=>C2H4+CH2O+OH +1.3100000E+033 -7.0100000E+000 +4.8120000E+004 !\AUTHOR: !\REF:Villano !\COMMENT: C3H6OOH1-3+O2<=>C3H6OOH1-3O2 +3.4330000E+016 -1.6270000E+000 +1.9870000E+002 !\AUTHOR: !\REF:Miyoshi A/2 !\ 080415A !\COMMENT: C3H6OOH1-3O2<=>C3KET13+OH +7.5000000E+010 +0.0000000E+000 +2.1400000E+004 !\AUTHOR: !\REF:Sharma 080415A !\COMMENT: C3KET13=>CH2O+CH2CHO+OH +1.0000000E+016 +0.0000000E+000 +4.3000000E+004 !\AUTHOR: !\REF: WARNING !\COMMENT: NC3H7O2H<=>NC3H7O+OH +1.5000000E+016 +0.0000000E+000 +4.2500000E+004 !\AUTHOR: !\REF:ESTIMATE !\COMMENT: NC3H7O2+H2<=>NC3H7O2H+H +3.0100000E+013 +0.0000000E+000 +2.6030000E+004 !\AUTHOR: !\REF:TSANG AND HAMPSON, J. PHYS. CHEM. REF. DATA, 15:1087 (1986) !\COMMENT: NC3H7O2+HO2<=>NC3H7O2H+O2 +1.7500000E+010 +0.0000000E+000 -3.2750000E+003 !\AUTHOR: !\REF:TSANG, JPC REF. DATA, 16:471 (1987) !\COMMENT: NC3H7O2+CH2O<=>NC3H7O2H+HCO +5.6000000E+012 +0.0000000E+000 +1.3600000E+004 !\AUTHOR: !\REF:ANALOGY TO CH2O+HO2 !\COMMENT: NC3H7O2+CH4<=>NC3H7O2H+CH3 +1.1200000E+013 +0.0000000E+000 +2.4640000E+004 !\AUTHOR: !\REF:ANALOGY TO CH4+HO2 !\COMMENT: NC3H7O2+CH3OH<=>NC3H7O2H+CH2OH +6.3000000E+012 +0.0000000E+000 +1.9360000E+004 !\AUTHOR: !\REF:ANALOGY TO CH3OH+HO2 !\COMMENT: NC3H7O2+C2H4<=>NC3H7O2H+C2H3 +1.1300000E+013 +0.0000000E+000 +3.0430000E+004 !\AUTHOR: !\REF:ANALOGY TO C2H4+HO2 !\COMMENT: NC3H7O2+C2H6<=>NC3H7O2H+C2H5 +1.7000000E+013 +0.0000000E+000 +2.0460000E+004 !\AUTHOR: !\REF:WESTBROOK ESTIMATE !\COMMENT: NC3H7O2+NC3H7O2=>NC3H7O+NC3H7O+O2 +1.4000000E+016 -1.6100000E+000 +1.8600000E+003 !\AUTHOR: !\REF:ESTIMATE !\COMMENT: NC3H7O2+C2H5O2=>NC3H7O+C2H5O+O2 +1.4000000E+016 -1.6100000E+000 +1.8600000E+003 !\AUTHOR: !\REF:ESTIMATE !\COMMENT: NC3H7O2+CH3<=>NC3H7O+CH3O +7.0000000E+012 +0.0000000E+000 -1.0000000E+003 !\AUTHOR: !\REF:ESTIMATE !\COMMENT: NC3H7O2+C2H5<=>NC3H7O+C2H5O +7.0000000E+012 +0.0000000E+000 -1.0000000E+003 !\AUTHOR: !\REF:ESTIMATE !\COMMENT: NC3H7O2+NC3H7<=>NC3H7O+NC3H7O +7.0000000E+012 +0.0000000E+000 -1.0000000E+003 !\AUTHOR: !\REF:ESTIMATE !\COMMENT: NC3H7O2+C3H5-A<=>NC3H7O+C3H5O +7.0000000E+012 +0.0000000E+000 -1.0000000E+003 !\AUTHOR: !\REF:ESTIMATE !\COMMENT: NC3H7O2+CH3O2=>NC3H7O+CH3O+O2 +1.4000000E+016 -1.6100000E+000 +1.8600000E+003 !\AUTHOR: !\REF:ESTIMATE !\COMMENT: C3H6O1-2<=>C2H4+CH2O +6.0000000E+014 +0.0000000E+000 +6.0000000E+004 !\AUTHOR: !\REF:!\FLOWERS, M. C., J. CHEM. SOC. FAR. TRANS. I 73, 1927 (1977) !\COMMENT: WARNING: REACTION IN WRONG CLASS C3H6O1-2+OH=>CH2O+C2H3+H2O +5.0000000E+012 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:WESTBROOK ESTIMATE !\COMMENT: WARNING: WHAT ARE SOURCES OF RATE CONSTANTS? C3H6O1-2+H=>CH2O+C2H3+H2 +2.6300000E+007 +2.0000000E+000 +5.0000000E+003 !\AUTHOR: !\REF:WESTBROOK ESTIMATE !\COMMENT: C3H6O1-2+O=>CH2O+C2H3+OH +8.4300000E+013 +0.0000000E+000 +5.2000000E+003 !\AUTHOR: !\REF:WESTBROOK ESTIMATE !\COMMENT: C3H6O1-2+HO2=>CH2O+C2H3+H2O2 +1.0000000E+013 +0.0000000E+000 +1.5000000E+004 !\AUTHOR: !\REF:WESTBROOK ESTIMATE !\COMMENT: C3H6O1-2+CH3O2=>CH2O+C2H3+CH3O2H +1.0000000E+013 +0.0000000E+000 +1.9000000E+004 !\AUTHOR: !\REF:WESTBROOK ESTIMATE !\COMMENT: C3H6O1-2+CH3=>CH2O+C2H3+CH4 +2.0000000E+011 +0.0000000E+000 +1.0000000E+004 !\AUTHOR: !\REF:WESTBROOK ESTIMATE !\COMMENT: C2H3+CH3(+M)<=>C3H6(+M) +2.5000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:LASKIN ET AL. IJCK 32 589-614 2000 !\COMMENT: WARNING LOW / +4.2700000E+058 -1.1940000E+001 +9.7698000E+003 / !LOW-PRESSURE-LIMIT TROE / +1.7500000E-001 +1.3410000E+003 +6.0000000E+004 +1.0140000E+004 / !TROE PARAMETERS C2H3+CH3<=>C3H5-A+H +4.1200000E+029 -4.9500000E+000 +8.0000000E+003 !\AUTHOR: !\REF: WARNING: WHAT IS REFERENCE? !\COMMENT: WARNING: REFERENCE UNCLEAR IN BASE MECHANISM? PLOG / +1.0000000E-002 +4.1200000E+029 -4.9500000E+000 +8.0000000E+003 / PLOG / +1.0000000E-001 +4.8600000E+030 -5.0300000E+000 +1.1300000E+004 / PLOG / +1.0000000E+000 +5.3000000E+029 -4.5700000E+000 +1.4400000E+004 / PLOG / +1.0000000E+001 +1.3200000E+030 -4.5400000E+000 +1.9300000E+004 / PLOG / +1.0000000E+002 +5.1600000E+028 -4.0300000E+000 +2.3800000E+004 / DUP C2H3+CH3<=>C3H5-A+H +5.7300000E+015 -7.7000000E-001 +1.1959000E+003 !\AUTHOR: !\REF: WARNING: WHAT IS REFERENCE? !\COMMENT: WARNING: REFERENCE UNCLEAR IN BASE MECHANISM? PLOG / +1.0000000E-002 +5.7300000E+015 -7.7000000E-001 +1.1959000E+003 / PLOG / +1.0000000E-001 +2.0600000E+013 -7.4000000E-002 +1.4287000E+003 / PLOG / +1.0000000E+000 +4.4800000E+010 +6.0000000E-001 +1.4216000E+003 / PLOG / +1.0000000E+001 +4.1000000E+006 +1.7100000E+000 +1.0569000E+003 / PLOG / +1.0000000E+002 +1.3700000E-001 +3.9100000E+000 -3.5355000E+002 / DUP C3H6<=>C2H3+CH3 +1.8800000E+078 -1.8700000E+001 +1.3000000E+005 !\AUTHOR: !\REF: WARNING: WHAT IS REFERENCE? !\COMMENT: WARNING: REFERENCE UNCLEAR IN BASE MECHANISM? PLOG / +1.0000000E-002 +1.8800000E+078 -1.8700000E+001 +1.3000000E+005 / PLOG / +1.0000000E-001 +8.7300000E+076 -1.7900000E+001 +1.3200000E+005 / PLOG / +1.0000000E+000 +5.8000000E+075 -1.7200000E+001 +1.3400000E+005 / PLOG / +1.0000000E+001 +8.1200000E+071 -1.5800000E+001 +1.3600000E+005 / PLOG / +1.0000000E+002 +2.1500000E+064 -1.3400000E+001 +1.3500000E+005 / DUP C3H6<=>C2H3+CH3 +1.6900000E+059 -1.3600000E+001 +1.1329000E+005 !\AUTHOR: !\REF: WARNING: WHAT IS REFERENCE? !\COMMENT: WARNING: REFERENCE UNCLEAR IN BASE MECHANISM? PLOG / +1.0000000E-002 +1.6900000E+059 -1.3600000E+001 +1.1329000E+005 / PLOG / +1.0000000E-001 +2.0000000E+060 -1.3700000E+001 +1.1489000E+005 / PLOG / +1.0000000E+000 +6.7000000E+054 -1.1800000E+001 +1.1384000E+005 / PLOG / +1.0000000E+001 +1.0600000E+047 -9.2700000E+000 +1.1151000E+005 / PLOG / +1.0000000E+002 +7.2900000E+038 -6.7000000E+000 +1.0874000E+005 / DUP C3H6<=>C3H5-A+H +9.1600000E+074 -1.7600000E+001 +1.2000000E+005 !\AUTHOR: !\REF: WARNING: WHAT IS REFERENCE? !\COMMENT: WARNING: REFERENCE UNCLEAR IN BASE MECHANISM? PLOG / +1.0000000E-002 +9.1600000E+074 -1.7600000E+001 +1.2000000E+005 / PLOG / +1.0000000E-001 +1.7300000E+070 -1.6000000E+001 +1.2000000E+005 / PLOG / +1.0000000E+000 +1.0800000E+071 -1.5900000E+001 +1.2486000E+005 / PLOG / +1.0000000E+001 +6.4000000E+065 -1.4200000E+001 +1.2500000E+005 / PLOG / +1.0000000E+002 +8.0500000E+056 -1.1500000E+001 +1.2200000E+005 / DUP C3H6<=>C3H5-A+H +2.9800000E+054 -1.2300000E+001 +1.0120000E+005 !\AUTHOR: !\REF: WARNING: WHAT IS REFERENCE? !\COMMENT: WARNING: REFERENCE UNCLEAR IN BASE MECHANISM? PLOG / +1.0000000E-002 +2.9800000E+054 -1.2300000E+001 +1.0120000E+005 / PLOG / +1.0000000E-001 +1.3700000E+043 -8.8700000E+000 +9.6365000E+004 / PLOG / +1.0000000E+000 +6.2800000E+042 -8.5100000E+000 +9.8004000E+004 / PLOG / +1.0000000E+001 +4.7300000E+035 -6.2600000E+000 +9.5644000E+004 / PLOG / +1.0000000E+002 +4.3400000E+028 -4.0600000E+000 +9.3114000E+004 / DUP C3H6+H<=>C3H5-A+H2 +3.6440000E+005 +2.4550000E+000 +4.3612000E+003 !\AUTHOR: !\REF: WARNING: WHAT IS REFERENCE? !\COMMENT: WARNING: REFERENCE UNCLEAR IN BASE MECHANISM? C3H6+O2<=>C3H5-A+HO2 +5.9600000E+019 -1.6700000E+000 +4.6192100E+004 !\AUTHOR: !\REF: ESTIMATE C3 NUIG S. M. BURKE !\COMMENT: C3H6+O<=>C3H5-A+OH +5.2400000E+011 +7.0000000E-001 +5.8840000E+003 !\AUTHOR: !\REF: ANALOGY WITH C2H4 !\COMMENT: WARNING: HAS CAVALOTTI RELEASED UPDATED RATE CONSTANTS FOR THIS? C3H6+OH<=>C3H5-A+H2O +4.4600000E+006 +2.0720000E+000 +1.0508000E+003 !\AUTHOR: !\REF: WARNING: NO REFERENCE !\COMMENT: WARNING: HAS ZADOR NOT COMPUTED THIS REACTION? C3H6+HO2<=>C3H5-A+H2O2 +3.0700000E-002 +4.4030000E+000 +1.3547200E+004 !\AUTHOR: !\REF: WARNING: WHAT IS REFERENCE? !\COMMENT: WARNING: REFERENCE UNCLEAR IN BASE MECHANISM? C3H6+CH3<=>C3H5-A+CH4 +2.2100000E+000 +3.5000000E+000 +5.6750000E+003 !\AUTHOR: !\REF: TSANG, W. J. PHYS. CHEM. REF. DATA 17, 887 (1988) !\COMMENT: C3H6+CH3O<=>C3H5-A+CH3OH +8.4000000E+010 +0.0000000E+000 +2.6000000E+003 !\AUTHOR: !\REF: BILL !\COMMENT: !\REF: REDUCED EA BY DIFFERENCE BETWEEN BD FOR SECONDARY ALKYL AND PRIMARY ALL C3H6+CH3O2<=>C3H5-A+CH3O2H +7.6800000E-002 +4.4030000E+000 +1.3547200E+004 !\AUTHOR: !\REF: ANALOGY TO C3H6+HO2 !\COMMENT: WARNING: WHERE IS C3H6+HO2 RATE CONSTANT FROM C3H6+C2H5<=>C3H5-A+C2H6 +1.0000000E+011 +0.0000000E+000 +9.8000000E+003 !\AUTHOR: !\REF: ALLARA, D. L. AND SHAW, R., J. PHYS. CHEM. REF. DATA 9, 523 (1980) !\COMMENT: C3H6+C2H5O2<=>C3H5-A+C2H5O2H +7.6800000E-002 +4.4030000E+000 +1.3547200E+004 !\AUTHOR: !\REF: ANALOGY TO C3H6+HO2 !\COMMENT: C3H6+NC3H7O2<=>C3H5-A+NC3H7O2H +7.6800000E-002 +4.4030000E+000 +1.3547200E+004 !\AUTHOR: !\REF: ANALOGY TO C3H6+HO2 !\COMMENT: WARNING: WHERE IS C3H6+HO2 RATE CONSTANT FROM C3H6+O<=>C2H5+HCO +7.4500000E+006 +1.8800000E+000 +1.8300000E+002 !\AUTHOR: !\REF: ANALOGY WITH C2H4 !\COMMENT: WARNING: THE PROBABILITY OF THIS BRANCHING RATIO IS SLIM TO NONE. C3H6+O=>CH2CO+CH3+H +3.0500000E+006 +1.8800000E+000 +1.8300000E+002 !\AUTHOR: !\REF: ANALOGY WITH C2H4 !\COMMENT: WARNING: THE PROBABILITY OF THIS BRANCHING RATIO IS SLIM TO NONE. C3H6+H<=>NC3H7 +1.0000000E+000 +1.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF: CURRAN EST !\COMMENT: WARNING: ARE THESE RATE CONSTANTS NOT FROM MILLER/KLIPPENSTEIN?? PLOG / +1.3000000E-003 +7.9900000E+081 -2.3161000E+001 +2.2239000E+004 / PLOG / +4.0000000E-002 +4.2400000E+068 -1.8427000E+001 +1.9665000E+004 / PLOG / +1.0000000E+000 +1.0400000E+049 -1.1500000E+001 +1.5359000E+004 / PLOG / +1.0000000E+001 +6.2000000E+041 -8.8920000E+000 +1.4637000E+004 / PLOG / +1.0000000E+002 +1.0000000E-010 +0.0000000E+000 +0.0000000E+000 / DUP C3H6+H<=>NC3H7 +1.0000000E+000 +1.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF: CURRAN EST !\COMMENT: WARNING: ARE THESE RATE CONSTANTS NOT FROM MILLER/KLIPPENSTEIN?? PLOG / +1.3000000E-003 +1.8500000E+026 -5.8300000E+000 +3.8658000E+003 / PLOG / +4.0000000E-002 +2.8200000E+030 -6.4900000E+000 +5.4708000E+003 / PLOG / +1.0000000E+000 +3.7800000E+028 -5.5700000E+000 +5.6251000E+003 / PLOG / +1.0000000E+001 +1.4600000E+025 -4.2800000E+000 +5.2478000E+003 / PLOG / +1.0000000E+002 +4.2200000E+027 -4.3900000E+000 +9.3458000E+003 / DUP C3H6+H<=>C2H4+CH3 +1.0000000E+000 +1.0000000E+000 +1.0000000E+000 !\AUTHOR: !\REF: CURRAN EST !\COMMENT: WARNING: ARE THESE RATE CONSTANTS NOT FROM MILLER/KLIPPENSTEIN?? PLOG / +1.3000000E-003 +1.5400000E+009 +1.3500000E+000 +2.5420000E+003 / PLOG / +4.0000000E-002 +7.8800000E+010 +8.7000000E-001 +3.5996000E+003 / PLOG / +1.0000000E+000 +2.6700000E+012 +4.7000000E-001 +5.4311000E+003 / PLOG / +1.0000000E+001 +9.2500000E+022 -2.6000000E+000 +1.2898000E+004 / PLOG / +1.0000000E+002 +1.3200000E+023 -2.4200000E+000 +1.6500000E+004 / DUP C3H6+H<=>C2H4+CH3 +1.0000000E+000 +1.0000000E+000 +1.0000000E+000 !\AUTHOR: !\REF: CURRAN EST !\COMMENT: WARNING: ARE THESE RATE CONSTANTS NOT FROM MILLER/KLIPPENSTEIN?? PLOG / +1.3000000E-003 +1.0000000E-010 +0.0000000E+000 +0.0000000E+000 / PLOG / +4.0000000E-002 +1.0000000E-010 +0.0000000E+000 +0.0000000E+000 / PLOG / +1.0000000E+000 +1.0000000E-010 +0.0000000E+000 +0.0000000E+000 / PLOG / +1.0000000E+001 +1.2400000E+005 +2.5200000E+000 +3.6791000E+003 / PLOG / +1.0000000E+002 +2.5100000E+003 +2.9100000E+000 +3.9809000E+003 / DUP C3H6+H<=>IC3H7 +1.0000000E+000 +1.0000000E+000 +1.0000000E+000 !\AUTHOR: !\REF: CURRAN EST !\COMMENT: WARNING: ARE THESE RATE CONSTANTS NOT FROM MILLER/KLIPPENSTEIN?? PLOG / +1.3000000E-003 +1.3500000E+044 -1.0680000E+001 +8.1964000E+003 / PLOG / +4.0000000E-002 +2.1100000E+057 -1.4230000E+001 +1.5147000E+004 / PLOG / +1.0000000E+000 +3.2600000E+061 -1.4940000E+001 +2.0161000E+004 / PLOG / +1.0000000E+001 +5.3000000E+056 -1.3120000E+001 +2.0667000E+004 / PLOG / +1.0000000E+002 +1.1100000E+050 -1.0800000E+001 +2.0202000E+004 / DUP C3H6+H<=>IC3H7 +1.0000000E+000 +1.0000000E+000 +1.0000000E+000 !\AUTHOR: !\REF: CURRAN EST !\COMMENT: WARNING: ARE THESE RATE CONSTANTS NOT FROM MILLER/KLIPPENSTEIN?? PLOG / +1.3000000E-003 +2.1700000E+130 -3.2580000E+001 +1.3614000E+005 / PLOG / +4.0000000E-002 +2.2500000E+029 -5.8400000E+000 +4.2419000E+003 / PLOG / +1.0000000E+000 +1.0600000E+030 -5.6300000E+000 +5.6134000E+003 / PLOG / +1.0000000E+001 +6.1100000E+026 -4.4400000E+000 +5.1823000E+003 / PLOG / +1.0000000E+002 +2.7300000E+023 -3.2600000E+000 +4.5970000E+003 / DUP C2H4+CH3<=>NC3H7 +1.0000000E+000 +1.0000000E+000 +1.0000000E+000 !\AUTHOR: !\REF: CURRAN EST !\COMMENT: WARNING: ARE THESE RATE CONSTANTS NOT FROM MILLER/KLIPPENSTEIN?? PLOG / +1.3000000E-003 +8.6700000E+048 -1.2540000E+001 +1.8206000E+004 / PLOG / +4.0000000E-002 +1.0600000E+049 -1.2040000E+001 +2.0001000E+004 / PLOG / +1.0000000E+000 +7.6700000E+047 -1.1170000E+001 +2.2366000E+004 / PLOG / +1.0000000E+001 +1.8100000E+045 -1.0030000E+001 +2.3769000E+004 / PLOG / +1.0000000E+002 +2.0400000E+040 -8.2500000E+000 +2.4214000E+004 / DUP C2H4+CH3<=>NC3H7 +1.0000000E+000 +1.0000000E+000 +1.0000000E+000 !\AUTHOR: !\REF: CURRAN EST !\COMMENT: WARNING: ARE THESE RATE CONSTANTS NOT FROM MILLER/KLIPPENSTEIN?? PLOG / +1.3000000E-003 +1.1200000E+043 -1.1300000E+001 +1.3080000E+004 / PLOG / +4.0000000E-002 +7.2800000E+039 -9.8800000E+000 +1.3164000E+004 / PLOG / +1.0000000E+000 +2.6000000E+033 -7.4600000E+000 +1.2416000E+004 / PLOG / +1.0000000E+001 +3.8500000E+027 -5.3800000E+000 +1.1455000E+004 / PLOG / +1.0000000E+002 +1.6600000E+021 -3.1700000E+000 +1.0241000E+004 / DUP C3H6+HO2<=>C3H6O1-2+OH +1.1300000E+019 -1.6800000E+000 +2.3587000E+004 !\AUTHOR: !\REF: WARNING !\COMMENT: WARNING: NO REFERENCE IN BASEMECH2907_C7.inp PLOG / +1.3000000E-002 +3.7300000E+003 +2.6400000E+000 +1.1173000E+004 / PLOG / +9.8690000E-001 +1.7800000E+012 +1.1000000E-001 +1.6137000E+004 / PLOG / +9.8700000E+000 +3.9000000E+017 -1.4000000E+000 +2.0077000E+004 / PLOG / +9.8690000E+001 +1.1300000E+019 -1.6800000E+000 +2.3587000E+004 / C3H6+HO2<=>IC3H7+O2 +8.8700000E+022 -3.0900000E+000 +2.6586000E+004 !\AUTHOR: !\REF: WARNING !\COMMENT: WARNING: NO REFERENCE IN BASEMECH2907_C7.inp PLOG / +1.3000000E-002 +1.0200000E+007 +1.1600000E+000 +1.0273000E+004 / PLOG / +9.8690000E-001 +1.3100000E+020 -2.5800000E+000 +1.9078000E+004 / PLOG / +9.8700000E+000 +4.1400000E+028 -4.9200000E+000 +2.6212000E+004 / PLOG / +9.8690000E+001 +8.8700000E+022 -3.0900000E+000 +2.6586000E+004 / C3H5-A+C2H5<=>C2H4+C3H6 +4.0000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:DAGAUT, P. ET AL., CST 71, 111(1990). !\COMMENT: C3H5-A+HCO<=>C3H6+CO +6.0000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:LASKIN ET AL. IJCK 32 589-614 2000 !\COMMENT: C3H5-A+HO2<=>C3H5O+OH +1.0000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116 (13), PP 3325–3346 \COMMENT: PLOG / +1.0000000E-002 +1.0200000E+013 -1.5800000E-001 -1.4170000E+003 / PLOG / +1.0000000E-001 +4.9800000E+014 -6.4200000E-001 -3.4910000E+002 / PLOG / +1.0000000E+000 +7.7700000E+017 -1.5200000E+000 +2.3792000E+003 / PLOG / +1.0000000E+001 +2.9300000E+015 -6.8400000E-001 +3.6153000E+003 / PLOG / +1.0000000E+002 +1.6400000E+004 +2.7400000E+000 +1.1444000E+003 / C3H5-A+HO2<=>AC3H5OOH +1.0000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116 (13), PP 3325–3346 \COMMENT: PLOG / +1.0000000E-002 +1.9100000E+031 -7.2300000E+000 +1.3362000E+003 / PLOG / +1.0000000E-001 +6.3100000E+042 -1.0300000E+001 +5.5689000E+003 / PLOG / +1.0000000E+000 +1.0300000E+045 -1.0600000E+001 +7.8515000E+003 / PLOG / +1.0000000E+001 +2.7900000E+037 -7.9200000E+000 +6.4979000E+003 / PLOG / +1.0000000E+002 +1.4400000E+032 -6.0100000E+000 +6.0536000E+003 / AC3H5OOH<=>C3H5O+OH +1.0000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116 (13), PP 3325–3346 \COMMENT: PLOG / +1.0000000E-002 +1.4900000E+058 -1.3900000E+001 +5.4266900E+004 / PLOG / +1.0000000E-001 +1.8000000E+054 -1.2400000E+001 +5.4193800E+004 / PLOG / +1.0000000E+000 +3.3600000E+046 -9.8100000E+000 +5.2468500E+004 / PLOG / +1.0000000E+001 +2.3900000E+036 -6.5400000E+000 +4.9429000E+004 / PLOG / +1.0000000E+002 +1.2800000E+027 -3.6100000E+000 +4.6333100E+004 / C3H5O<=>C2H3+CH2O +1.0000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116 (13), PP 3325–3346 \COMMENT: PLOG / +1.0000000E-003 +7.2600000E+006 +1.8200000E-001 +1.7815500E+004 / PLOG / +1.0000000E-002 +6.9700000E+016 -2.5000000E+000 +2.0878700E+004 / PLOG / +1.0000000E-001 +6.6400000E+023 -4.2300000E+000 +2.3565000E+004 / PLOG / +1.0000000E+000 +1.0700000E+026 -4.5600000E+000 +2.4622900E+004 / PLOG / +1.0000000E+001 +6.5000000E+029 -5.3700000E+000 +2.6645000E+004 / PLOG / +1.0000000E+002 +4.6300000E+031 -5.5900000E+000 +2.8915300E+004 / PLOG / +1.0000000E+003 +8.5200000E+025 -3.6100000E+000 +2.7863400E+004 / C3H5O<=>C2H4+HCO +1.0000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116 (13), PP 3325–3346 \COMMENT: PLOG / +1.0000000E-003 +6.6200000E+016 -2.8400000E+000 +1.3197000E+004 / PLOG / +1.0000000E-002 +1.2600000E+020 -3.5300000E+000 +1.5469200E+004 / PLOG / +1.0000000E-001 +2.1300000E+021 -3.6400000E+000 +1.6584500E+004 / PLOG / +1.0000000E+000 +1.0700000E+024 -4.1600000E+000 +1.8985000E+004 / PLOG / +1.0000000E+001 +8.4200000E+025 -4.4000000E+000 +2.2382600E+004 / PLOG / +1.0000000E+002 +1.8600000E+021 -2.7300000E+000 +2.3658800E+004 / PLOG / +1.0000000E+003 +4.7500000E+008 +1.1400000E+000 +2.0922500E+004 / C2H3+CH2O<=>C2H4+HCO +1.0000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:FRANKLIN C GOLDSMITH J. PHYS. CHEM. A, 2012, 116 (13), PP 3325–3346 \COMMENT: PLOG / +1.0000000E-003 +1.1100000E+007 +1.0900000E+000 +1.8072000E+003 / PLOG / +1.0000000E-002 +2.4700000E+007 +9.9300000E-001 +1.9949000E+003 / PLOG / +1.0000000E-001 +2.4700000E+008 +7.0400000E-001 +2.5962000E+003 / PLOG / +1.0000000E+000 +1.4200000E+010 +2.0900000E-001 +3.9342000E+003 / PLOG / +1.0000000E+001 +3.4500000E+013 -7.2600000E-001 +6.9443000E+003 / PLOG / +1.0000000E+002 +3.3100000E+014 -8.6600000E-001 +1.0965700E+004 / PLOG / +1.0000000E+003 +1.6500000E+001 +3.1700000E+000 +9.3998000E+003 / C3H5-A+CH3O2<=>C3H5O+CH3O +1.0000000E+011 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF: ANOLOGY WITH C3H5-A+HO2 !\COMMENT: PLOG / +1.0000000E-002 +3.3300000E+012 -1.5800000E-001 -1.4170000E+003 / PLOG / +1.0000000E-001 +1.6600000E+014 -6.4200000E-001 -3.4910000E+002 / PLOG / +1.0000000E+000 +2.5950000E+017 -1.5200000E+000 +2.3792000E+003 / PLOG / +1.0000000E+001 +9.7800000E+014 -6.8400000E-001 +3.6153000E+003 / PLOG / +1.0000000E+002 +5.4700000E+003 +2.7400000E+000 +1.1444000E+003 / C3H6+OH<=>CH3CHO+CH3 +6.9300000E+005 +1.4900000E+000 -5.3600000E+002 !\AUTHOR: !\REF: ZADOR PHYS. CHEM. CHEM. PHYS., 2009, 11, 11040–11053 !\COMMENT: PLOG / +1.3000000E-003 +6.9300000E+005 +1.4900000E+000 -5.3600000E+002 / PLOG / +1.0000000E-002 +5.9400000E+003 +2.0100000E+000 -5.6000000E+002 / PLOG / +1.3000000E-002 +1.1000000E+003 +2.2200000E+000 -6.8000000E+002 / PLOG / +2.5000000E-002 +1.0700000E+002 +2.5000000E+000 -7.5900000E+002 / PLOG / +1.0000000E-001 +7.8300000E-001 +3.1000000E+000 -9.1900000E+002 / PLOG / +1.3150000E-001 +3.0700000E-001 +3.2200000E+000 -9.4600000E+002 / PLOG / +1.0000000E+000 +3.1600000E-004 +4.0500000E+000 -1.1440000E+003 / PLOG / +1.0000000E+001 +7.5900000E-006 +4.4900000E+000 -6.8000000E+002 / PLOG / +1.0000000E+002 +5.4500000E-005 +4.2200000E+000 +1.1410000E+003 / C2H2+CH3<=>C3H5-A +8.2000000E+053 -1.3320000E+001 +3.3200000E+004 !\AUTHOR: !\REF:DAVIS AND LAW J. PHYS. CHEM. A 1999, 103, 5889-589 !\COMMENT: WARNING: PLOG / +1.0000000E-001 +8.2000000E+053 -1.3320000E+001 +3.3200000E+004 / PLOG / +1.0000000E+000 +2.6800000E+053 -1.2820000E+001 +3.5730000E+004 / PLOG / +2.0000000E+000 +3.6400000E+052 -1.2460000E+001 +3.6127000E+004 / PLOG / +5.0000000E+000 +1.0400000E+051 -1.1890000E+001 +3.6476000E+004 / PLOG / +1.0000000E+001 +4.4000000E+049 -1.1400000E+001 +3.6700000E+004 / PLOG / +1.0000000E+002 +3.8000000E+044 -9.6300000E+000 +3.7600000E+004 / CH3COCH2+O2<=>CH3COCH2O2 +1.2000000E+011 +0.0000000E+000 -1.1000000E+003 !\AUTHOR: !\REF:CURRAN ESTIMATE !\COMMENT: CH2CO+CH3<=>CH3COCH2 +1.7600000E+004 +2.4800000E+000 +6.1300000E+003 !\AUTHOR: !\REF:WJP: BASED ON CH3+C2H4 ADDITION, CURRAN IJCK 2006 !\COMMENT: C3H5-A+CH3(+M)<=>C4H8-1(+M) +1.0000000E+014 -3.2000000E-001 -2.6230000E+002 !\AUTHOR: !\REF: Yijun Zhang et al. Combustion and Flame 159 (2012) 905¨C917 LOW / +3.9100000E+060 -1.2810000E+001 +6.2500000E+003 / !LOW-PRESSURE-LIMIT TROE / +1.0400000E-001 +1.6060000E+003 +6.0000000E+004 +6.1184000E+003 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CH4 / 2.000 / CO / 1.500 / CO2 / 2.000 / C2H6 / 3.000 / C2H5+C2H3(+M)<=>C4H8-1(+M) +1.5000000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF: Yijun Zhang et al. Combustion and Flame 159 (2012) 905¨C917 LOW / +1.5500000E+056 -1.1790000E+001 +8.9845000E+003 / !LOW-PRESSURE-LIMIT TROE / +1.9800000E-001 +2.2779000E+003 +6.0000000E+004 +5.7232000E+003 / !TROE PARAMETERS H2 / 2.000 / H2O / 6.000 / CH4 / 2.000 / CO / 1.500 / CO2 / 2.000 / C2H6 / 3.000 / C4H71-3+H<=>C4H8-1 +5.0000000E+013 +0.0000000E+000 +5.0000000E+003 !\AUTHOR: !\REF: EST C4H8-1+OH<=>C4H71-3+H2O +7.7690000E+005 +2.2000000E+000 -4.3718000E+002 !\AUTHOR: !\REF:Subith S. Vasu ET AL. J. Phys. Chem. A 2011, 115, 2549¨C2556 !\COMMENT: /2.6 C4H8-1+HO2<=>C4H71-3+H2O2 +7.8200000E-001 +3.9700000E+000 +1.1702000E+004 !\AUTHOR: !\REF:Judit Zador,Stephen J. Klippenstein,and James A. Miller J. Phys. Chem. A 2011, 115, 10218¨C10225 !\COMMENT: *2 C4H8-1+H<=>C4H71-3+H2 +2.4200000E+003 +3.0500000E+000 +1.9950000E+003 !\AUTHOR: !\REF:KPS, TST/RRHO+HRS C4H8-1+O<=>C4H71-3+OH +1.7500000E+011 +7.0000000E-001 +5.8840000E+003 !\AUTHOR: !\REF:IN ARAMCO C4H8-1+O2<=>C4H71-3+HO2 +1.0000000E+014 +0.0000000E+000 +3.7190000E+004 !\AUTHOR: !\REF:IN ARAMCO !*5 C4H8-1+CH3<=>C4H71-3+CH4 +2.2100000E+000 +3.5000000E+000 +5.6750000E+003 !\AUTHOR: !\REF:IN ARAMCO (TSANG '91) C4H8-1+CH3O2<=>C4H71-3+CH3O2H +2.7000000E+004 +7.0000000E-001 +5.8840000E+003 !\AUTHOR: !\REF:IN ARAMCO (TSANG '91) C4H8-1+CH3O<=>C4H71-3+CH3OH +4.0000000E+001 +2.9000000E+000 +8.6090000E+003 !\AUTHOR: !\REF:IN ARAMCO (TSANG '91) C4H8-1+C3H5-A<=>C4H71-3+C3H6 +7.9000000E+010 +0.0000000E+000 +1.2400000E+004 !\AUTHOR: !\REF:IN ARAMCO (DECHAUX, J.C., OXID. COMM. 2, 95 (1981)) C4H8-1+C2H5O2<=>C4H71-3+C2H5O2H +1.4000000E+012 +0.0000000E+000 +1.4900000E+004 !\AUTHOR: !\REF:IN ARAMCO (ALLARA, D. L. AND EDELSON, D., INT. J. CHEM. KINET. 7, 479 (1975).) C4H8-1+NC3H7O2<=>C4H71-3+NC3H7O2H +1.4000000E+012 +0.0000000E+000 +1.4900000E+004 !\AUTHOR: !\REF:IN ARAMCO (ALLARA, D. L. AND EDELSON, D., INT. J. CHEM. KINET. 7, 479 (1975).) C4H71-3+C2H5<=>C4H8-1+C2H4 +2.5900000E+012 +0.0000000E+000 -1.3100000E+002 !\AUTHOR: !\REF:IN ARAMCO (ESTIMATE) C4H71-3+CH3O<=>C4H8-1+CH2O +2.4100000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:IN ARAMCO (ESTIMATE) C4H71-3<=>C4H6+H +8.5300000E+007 +1.9500000E+000 +4.7490106E+004 !\AUTHOR: !\REF:YANG CALCULATIONS C4H71-3+O2<=>C4H6+HO2 +1.0700000E+000 +3.7100000E+000 +9.3220000E+003 !\AUTHOR: !\REF: J. D. DESAIN, S. J. KLIPPENSTEIN, J. A. MILLER, C. A. TAATJES, J. PHYS. CHEM. A, 107, 2003, 4415-4427 !\COMMENT:!*2 H+C4H71-3<=>C4H6+H2 +3.1600000E+013 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:ALLARA, D. L. AND SHAW, R., J. PHYS. CHEM. REF. DATA 9, 523 (1980) C2H5+C4H71-3<=>C4H6+C2H6 +3.9800000E+012 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:EDELSON AND ALLARA, 1980 C2H3+C4H71-3<=>C2H4+C4H6 +3.9800000E+012 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:EDELSON AND ALLARA, 1980 C3H5-A+C4H71-3<=>C3H6+C4H6 +6.3100000E+012 +0.0000000E+000 +0.0000000E+000 !\AUTHOR: !\REF:EDELSON AND ALLARA, 1980 C4H8-1+H<=>C2H4+C2H5 +1.0000000E+000 +1.0000000E+000 +1.0000000E+000 !\AUTHOR: !\REF: !\COMMENT: QRRK/MSC ANALYSIS WITH CHEMDIS PLOG / +1.0000000E-003 +2.5500000E+006 +1.9300000E+000 +5.5640000E+003 / PLOG / +1.0000000E-002 +5.5600000E+006 +1.8300000E+000 +5.8020000E+003 / PLOG / +1.0000000E-001 +1.2100000E+009 +1.1800000E+000 +7.4720000E+003 / PLOG / +1.0000000E+000 +9.4700000E+016 -1.0300000E+000 +1.3413000E+004 / PLOG / +1.0000000E+001 +4.5000000E+028 -4.2400000E+000 +2.3618000E+004 / PLOG / +1.0000000E+002 +7.0200000E+032 -5.2200000E+000 +3.1754000E+004 / DUP C4H8-1+H<=>C2H4+C2H5 +1.0000000E+000 +1.0000000E+000 +1.0000000E+000 !\AUTHOR: !\REF: !\COMMENT: QRRK/MSC ANALYSIS WITH CHEMDIS PLOG / +1.0000000E-003 +3.4500000E+007 +1.8100000E+000 +2.2630000E+003 / PLOG / +1.0000000E-002 +8.0600000E+007 +1.7100000E+000 +2.5220000E+003 / PLOG / +1.0000000E-001 +1.1800000E+010 +1.1000000E+000 +4.0770000E+003 / PLOG / +1.0000000E+000 +6.0200000E+015 -4.9000000E-001 +8.4520000E+003 / PLOG / +1.0000000E+001 +7.5800000E+021 -2.1400000E+000 +1.4245000E+004 / PLOG / +1.0000000E+002 +2.2900000E+021 -1.8700000E+000 +1.7243000E+004 / DUP C4H8-1+H<=>C3H6+CH3 +1.0000000E+000 +1.0000000E+000 +1.0000000E+000 !\AUTHOR: !\REF: !\COMMENT: QRRK/MSC ANALYSIS WITH CHEMDIS PLOG / +1.0000000E-003 +7.8300000E+009 +1.1700000E+000 +1.4420000E+003 / PLOG / +1.0000000E-002 +3.3900000E+010 +1.0000000E+000 +1.8950000E+003 / PLOG / +1.0000000E-001 +3.7000000E+013 +1.4000000E-001 +4.1270000E+003 / PLOG / +1.0000000E+000 +4.5700000E+019 -1.5400000E+000 +9.0610000E+003 / PLOG / +1.0000000E+001 +8.5700000E+023 -2.6600000E+000 +1.4140000E+004 / PLOG / +1.0000000E+002 +1.3200000E+020 -1.4600000E+000 +1.5383000E+004 / DUP C4H8-1+H<=>C3H6+CH3 +1.0000000E+000 +1.0000000E+000 +1.0000000E+000 !\AUTHOR: !\REF: !\COMMENT: QRRK/MSC ANALYSIS WITH CHEMDIS PLOG / +1.0000000E-003 +1.8000000E+006 +1.7600000E+000 +5.9000000E+003 / PLOG / +1.0000000E-002 +3.4600000E+006 +1.6800000E+000 +6.1000000E+003 / PLOG / +1.0000000E-001 +4.0200000E+008 +1.1000000E+000 +7.5740000E+003 / PLOG / +1.0000000E+000 +1.2100000E+016 -9.9000000E-001 +1.3175000E+004 / PLOG / +1.0000000E+001 +7.1400000E+027 -4.2300000E+000 +2.3319000E+004 / PLOG / +1.0000000E+002 +1.0000000E+033 -5.4900000E+000 +3.1922000E+004 / DUP C4H8-1+O<=>NC3H7+HCO +7.4500000E+006 +1.8800000E+000 +1.8300000E+002 !\AUTHOR: !\REF:ANALOGY WITH C3H6+O C4H8-1+O=>CH2CO+C2H5+H +3.0500000E+006 +1.8800000E+000 +1.8300000E+002 !\AUTHOR: !\REF:ANALOGY WITH C3H6+O C4H6+H<=>C2H4+C2H3 +1.4600000E+030 -4.3400000E+000 +2.1647000E+004 !\AUTHOR: !\REF: WARNING SOURCE UNCLEAR!\COMMENT: WARNING PROBABLY LASKIN ET AL. PLOG / +1.0000000E+000 +1.4600000E+030 -4.3400000E+000 +2.1647000E+004 / PLOG / +1.0000000E+001 +5.4500000E+030 -4.5100000E+000 +2.1877000E+004 / C4H6+OH<=>C3H5-A+CH2O +1.3700000E+012 +0.0000000E+000 -1.0400000E+003 !\AUTHOR: !\REF: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\COMMENT: TEST, 0525 KWZ C2H3+C2H3<=>C4H6 +7.0000000E+057 -1.3820000E+001 +1.7629000E+004 !\AUTHOR: !\REF: WARNING PRIMARY SOURCE UNCLEAR PROBABLY LASKIN ET AL. !\COMMENT: WARNING: THIS REACTION IS IN THE WRONG PLACE!! PLOG / +2.6300000E-002 +7.0000000E+057 -1.3820000E+001 +1.7629000E+004 / PLOG / +1.2000000E-001 +1.5000000E+052 -1.1970000E+001 +1.6056000E+004 / PLOG / +1.0000000E+000 +1.5000000E+042 -8.8400000E+000 +1.2483000E+004 / END